(E)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-3-(3-methoxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-3-(3-methoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-3-(3-methoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3-(3-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-3-(3-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-3-(3-methoxyphenyl)acrylonitrile Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(=CC3=CC(=CC=C3)OC)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C(=C/C3=CC(=CC=C3)OC)/C#N)C

InChI

InChI=1S/C23H25N3O4S/c1-17-7-8-22(13-18(17)2)31(28,29)26-11-9-25(10-12-26)23(27)20(16-24)14-19-5-4-6-21(15-19)30-3/h4-8,13-15H,9-12H2,1-3H3/b20-14+