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

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]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[N-(2-methylbenzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[[(2-methyl-5-benzofuranyl)amino]-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(2-methylbenzofuran-5-yl)amidino]isonipecotamide Formula: C34H42N6O6S MolecularWeight: 662.79888

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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)C5CCN(CC5)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)C5CCN(CC5)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C34H42N6O6S/c1-24-21-26-22-27(12-13-30(26)46-24)35-34(36-29-11-5-6-18-39(33(29)43)23-31(41)38-16-7-8-17-38)37-32(42)25-14-19-40(20-15-25)47(44,45)28-9-3-2-4-10-28/h2-4,9-10,12-13,21-22,25,29H,5-8,11,14-20,23H2,1H3,(H2,35,36,37,42)