3-(azepan-1-ylsulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H27N3O5S2/c22-30(26,27)19-10-8-17(9-11-19)12-13-23-21(25)18-6-5-7-20(16-18)31(28,29)24-14-3-1-2-4-15-24/h5-11,16H,1-4,12-15H2,(H,23,25)(H2,22,26,27)