3-[4-(phenylcarbonyl)-1,4-diazepan-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: 3-[4-(phenylcarbonyl)-1,4-diazepan-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Openeye Name: 3-(4-benzoyl-1,4-diazepan-1-ium-1-yl)-N-(4-sulfamoylphenyl)propanamide CAS Name: 3-(4-benzoyl-1,4-diazepan-1-ium-1-yl)-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 3-(4-benzoyl-1,4-diazepan-1-ium-1-yl)-N-(4-sulfamoylphenyl)propanamide Traditional Name: 3-(4-benzoyl-1,4-diazepan-1-ium-1-yl)-N-(4-sulfamoylphenyl)propionamide Formula: C21H27N4O4S+ MolecularWeight: 431.52848

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CC=CC=C2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CC=CC=C2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H26N4O4S/c22-30(28,29)19-9-7-18(8-10-19)23-20(26)11-14-24-12-4-13-25(16-15-24)21(27)17-5-2-1-3-6-17/h1-3,5-10H,4,11-16H2,(H,23,26)(H2,22,28,29)/p+1