N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-4-sulfamoyl-benzamide

Systemtic Name: N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-4-sulfamoyl-benzamide Openeye Name: N-[N-(2-methylbenzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-4-sulfamoyl-benzamide CAS Name: N-[[(2-methyl-5-benzofuranyl)amino]-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]-4-sulfamoylbenzamide IUPAC Name: N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]-4-sulfamoylbenzamide Traditional Name: N-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(2-methylbenzofuran-5-yl)amidino]-4-sulfamoyl-benzamide Formula: C29H34N6O6S MolecularWeight: 594.68186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)C5=CC=C(C=C5)S(=O)(=O)N

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)C5=CC=C(C=C5)S(=O)(=O)N

InChI

InChI=1S/C29H34N6O6S/c1-19-16-21-17-22(9-12-25(21)41-19)31-29(33-27(37)20-7-10-23(11-8-20)42(30,39)40)32-24-6-2-3-15-35(28(24)38)18-26(36)34-13-4-5-14-34/h7-12,16-17,24H,2-6,13-15,18H2,1H3,(H2,30,39,40)(H2,31,32,33,37)