[2-oxidanylidene-3-[[4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]-4-piperidin-1-yl-butanoyl]amino]pentanimidoyl] benzenecarboximidate

Systemtic Name: [2-oxidanylidene-3-[[4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]-4-piperidin-1-yl-butanoyl]amino]pentanimidoyl] benzenecarboximidate Openeye Name: [3-[[2-(benzylsulfonylmethyl)-4-oxo-4-(1-piperidyl)butanoyl]amino]-2-oxo-pentanimidoyl] benzenecarboximidate CAS Name: benzenecarboximidic acid [3-[[1,4-dioxo-2-[(phenylmethyl)sulfonylmethyl]-4-(1-piperidinyl)butyl]amino]-1-imino-2-oxopentyl] ester IUPAC Name: [3-[[2-(benzylsulfonylmethyl)-4-oxo-4-piperidin-1-ylbutanoyl]amino]-2-oxopentanimidoyl] benzenecarboximidate Traditional Name: benzenecarboximidic acid [3-[[2-(benzylsulfonylmethyl)-4-keto-4-piperidino-butanoyl]amino]-2-keto-pentanimidoyl] ester Formula: C29H36N4O6S MolecularWeight: 568.68434

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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)N2CCCCC2)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)N2CCCCC2)CS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C29H36N4O6S/c1-2-24(26(35)28(31)39-27(30)22-14-8-4-9-15-22)32-29(36)23(18-25(34)33-16-10-5-11-17-33)20-40(37,38)19-21-12-6-3-7-13-21/h3-4,6-9,12-15,23-24,30-31H,2,5,10-11,16-20H2,1H3,(H,32,36)