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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(4-sulfamoylphenyl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-sulfamoylphenyl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[(4-sulfamoylphenyl)methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-sulfamoylphenyl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-sulfamoylbenzyl)benzamide Formula: C20H24ClN3O5S2 MolecularWeight: 486.00466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O5S2/c21-18-10-7-16(13-19(18)31(28,29)24-11-3-1-2-4-12-24)20(25)23-14-15-5-8-17(9-6-15)30(22,26)27/h5-10,13H,1-4,11-12,14H2,(H,23,25)(H2,22,26,27)