2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-sulfamoylphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-sulfamoylphenyl)methyl]ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(4-sulfamoylbenzyl)acetamide Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H27N3O6S2/c22-31(26,27)19-9-5-17(6-10-19)15-23-21(25)16-30-18-7-11-20(12-8-18)32(28,29)24-13-3-1-2-4-14-24/h5-12H,1-4,13-16H2,(H,23,25)(H2,22,26,27)