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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(4-sulfamoylphenyl)methyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(4-sulfamoylphenyl)methyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[(4-sulfamoylphenyl)methyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(4-sulfamoylphenyl)methyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4-sulfamoylbenzyl)benzamide Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S2/c21-29(25,26)18-9-5-16(6-10-18)15-22-20(24)17-7-11-19(12-8-17)30(27,28)23-13-3-1-2-4-14-23/h5-12H,1-4,13-15H2,(H,22,24)(H2,21,25,26)