methyl 4-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-(4-benzhydrylpiperazin-1-yl)sulfonylanilino]-4-oxo-butanoate CAS Name: 4-[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-(4-benzhydrylpiperazin-1-yl)sulfonylanilino]-4-oxobutanoate Traditional Name: 4-[4-(4-benzhydrylpiperazino)sulfonylanilino]-4-keto-butyric acid methyl ester Formula: C28H31N3O5S MolecularWeight: 521.62784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O5S/c1-36-27(33)17-16-26(32)29-24-12-14-25(15-13-24)37(34,35)31-20-18-30(19-21-31)28(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,28H,16-21H2,1H3,(H,29,32)