[3-[[4-morpholin-4-yl-4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]butanoyl]amino]-2-oxidanylidene-pentanimidoyl] benzenecarboximidate

Systemtic Name: [3-[[4-morpholin-4-yl-4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]butanoyl]amino]-2-oxidanylidene-pentanimidoyl] benzenecarboximidate Openeye Name: [3-[[2-(benzylsulfonylmethyl)-4-morpholino-4-oxo-butanoyl]amino]-2-oxo-pentanimidoyl] benzenecarboximidate CAS Name: benzenecarboximidic acid [1-imino-3-[[4-(4-morpholinyl)-1,4-dioxo-2-[(phenylmethyl)sulfonylmethyl]butyl]amino]-2-oxopentyl] ester IUPAC Name: [3-[[2-(benzylsulfonylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-2-oxopentanimidoyl] benzenecarboximidate Traditional Name: benzenecarboximidic acid [3-[[2-(benzylsulfonylmethyl)-4-keto-4-morpholino-butanoyl]amino]-2-keto-pentanimidoyl] ester Formula: C28H34N4O7S MolecularWeight: 570.65716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C(=N)OC(=N)C1=CC=CC=C1)NC(=O)C(CC(=O)N2CCOCC2)CS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)C(=N)OC(=N)C1=CC=CC=C1)NC(=O)C(CC(=O)N2CCOCC2)CS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C28H34N4O7S/c1-2-23(25(34)27(30)39-26(29)21-11-7-4-8-12-21)31-28(35)22(17-24(33)32-13-15-38-16-14-32)19-40(36,37)18-20-9-5-3-6-10-20/h3-12,22-23,29-30H,2,13-19H2,1H3,(H,31,35)