1-(3-methylphenyl)-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-sulfamoyl-guanidine

Systemtic Name: 1-(3-methylphenyl)-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-sulfamoyl-guanidine Openeye Name: 1-(m-tolyl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-sulfamoyl-guanidine CAS Name: 1-(3-methylphenyl)-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]-3-sulfamoylguanidine IUPAC Name: 1-(3-methylphenyl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]-3-sulfamoylguanidine Traditional Name: 2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-1-(m-tolyl)-3-sulfamoyl-guanidine Formula: C20H30N6O4S MolecularWeight: 450.555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NS(=O)(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NS(=O)(=O)N

InChI

InChI=1S/C20H30N6O4S/c1-15-7-6-8-16(13-15)22-20(24-31(21,29)30)23-17-9-2-3-12-26(19(17)28)14-18(27)25-10-4-5-11-25/h6-8,13,17H,2-5,9-12,14H2,1H3,(H2,21,29,30)(H2,22,23,24)