N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-1-methylsulfonyl-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-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[N-(2-methylbenzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[[(2-methyl-5-benzofuranyl)amino]-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(2-methylbenzofuran-5-yl)amidino]-1-mesyl-isonipecotamide Formula: C29H40N6O6S MolecularWeight: 600.7295

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C29H40N6O6S/c1-20-17-22-18-23(8-9-25(22)41-20)30-29(32-27(37)21-10-15-35(16-11-21)42(2,39)40)31-24-7-3-4-14-34(28(24)38)19-26(36)33-12-5-6-13-33/h8-9,17-18,21,24H,3-7,10-16,19H2,1-2H3,(H2,30,31,32,37)