3-(azepan-1-ylsulfonyl)-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(4-sulfamoylbenzyl)benzamide Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H27N3O6S2/c1-30-19-11-8-17(14-20(19)32(28,29)24-12-4-2-3-5-13-24)21(25)23-15-16-6-9-18(10-7-16)31(22,26)27/h6-11,14H,2-5,12-13,15H2,1H3,(H,23,25)(H2,22,26,27)