ethyl (E)-2-cyano-3-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]amino]prop-2-enoate Openeye Name: ethyl (E)-3-[4-(4-benzhydrylpiperazin-1-yl)sulfonylanilino]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-(4-benzhydrylpiperazin-1-yl)sulfonylanilino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-(4-benzhydrylpiperazino)sulfonylanilino]-2-cyano-acrylic acid ethyl ester Formula: C29H30N4O4S MolecularWeight: 530.6379

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O4S/c1-2-37-29(34)25(21-30)22-31-26-13-15-27(16-14-26)38(35,36)33-19-17-32(18-20-33)28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16,22,28,31H,2,17-20H2,1H3/b25-22+