[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl] 2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(o-anisoylamino)butyric acid [2-keto-2-(4-tosylpiperazino)ethyl] ester Formula: C26H33N3O7S2 MolecularWeight: 563.68612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C(CCSC)NC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C(CCSC)NC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C26H33N3O7S2/c1-19-8-10-20(11-9-19)38(33,34)29-15-13-28(14-16-29)24(30)18-36-26(32)22(12-17-37-3)27-25(31)21-6-4-5-7-23(21)35-2/h4-11,22H,12-18H2,1-3H3,(H,27,31)