| SpectraBase Spectrum ID |
HRD7HsomQ5t |
| Name |
3-(azepane-1-sulfonyl)-benzoic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H26N4O4S |
| InChI |
InChI=1S/C26H26N4O4S/c1-19-13-14-25(24(17-19)30-27-22-11-4-5-12-23(22)28-30)34-26(31)20-9-8-10-21(18-20)35(32,33)29-15-6-2-3-7-16-29/h4-5,8-14,17-18H,2-3,6-7,15-16H2,1H3 |
| InChIKey |
HLXXLOOVCCVEGP-UHFFFAOYSA-N |
| Molecular Weight |
490.578 g/mol |
| SMILES |
C1CCN(S(c2cc(C(Oc3c(-[n]4nc5ccccc5n4)cc(cc3)C)=O)ccc2)(=O)=O)CCC1 |
| SPLASH |
splash10-016s-9856000000-ddbf9948365f0fbda2ce |
| Synonyms |
3-(1-azepanylsulfonyl)benzoic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester
[2-(benzotriazol-2-yl)-4-methylphenyl] 3-(azepan-1-ylsulfonyl)benzoate
[2-(benzotriazol-2-yl)-4-methyl-phenyl] 3-(azepan-1-ylsulfonyl)benzoate |
| Wiley ID |
1461286 |
![benzoic acid, 3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-, 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl ester](/api/spectrum/HRD7HsomQ5t/structure.png?h=300&w=458 "benzoic acid, 3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-, 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl ester")
