N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-4-methylsulfonyl-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-methylsulfonyl-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-methylsulfonyl-benzamide CAS Name: N-[[(2-methyl-5-benzofuranyl)amino]-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]-4-methylsulfonylbenzamide 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-methylsulfonylbenzamide Traditional Name: N-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(2-methylbenzofuran-5-yl)amidino]-4-mesyl-benzamide Formula: C30H35N5O6S MolecularWeight: 593.6938

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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)C

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)C

InChI

InChI=1S/C30H35N5O6S/c1-20-17-22-18-23(10-13-26(22)41-20)31-30(33-28(37)21-8-11-24(12-9-21)42(2,39)40)32-25-7-3-4-16-35(29(25)38)19-27(36)34-14-5-6-15-34/h8-13,17-18,25H,3-7,14-16,19H2,1-2H3,(H2,31,32,33,37)