ethyl (E)-4-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[4-(4-benzhydrylpiperazin-1-yl)sulfonylanilino]-4-oxo-but-2-enoate CAS Name: (E)-4-[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[4-(4-benzhydrylpiperazin-1-yl)sulfonylanilino]-4-oxobut-2-enoate Traditional Name: (E)-4-[4-(4-benzhydrylpiperazino)sulfonylanilino]-4-keto-but-2-enoic acid ethyl ester Formula: C29H31N3O5S MolecularWeight: 533.63854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O5S/c1-2-37-28(34)18-17-27(33)30-25-13-15-26(16-14-25)38(35,36)32-21-19-31(20-22-32)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-18,29H,2,19-22H2,1H3,(H,30,33)/b18-17+