methyl 3-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]amino]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]amino]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[4-(4-benzhydrylpiperazin-1-yl)sulfonylanilino]-3-oxo-propanoate CAS Name: 3-[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-benzhydrylpiperazin-1-yl)sulfonylanilino]-3-oxopropanoate Traditional Name: 3-[4-(4-benzhydrylpiperazino)sulfonylanilino]-3-keto-propionic acid methyl ester Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O5S/c1-35-26(32)20-25(31)28-23-12-14-24(15-13-23)36(33,34)30-18-16-29(17-19-30)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,27H,16-20H2,1H3,(H,28,31)