4-[(E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoyl]-N,N-dimethyl-piperazine-1-sulfonamide

Systemtic Name: 4-[(E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoyl]-N,N-dimethyl-piperazine-1-sulfonamide Openeye Name: 4-[(E)-2-cyano-3-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]prop-2-enoyl]-N,N-dimethyl-piperazine-1-sulfonamide CAS Name: 4-[(E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-1-oxoprop-2-enyl]-N,N-dimethyl-1-piperazinesulfonamide IUPAC Name: 4-[(E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoyl]-N,N-dimethylpiperazine-1-sulfonamide Traditional Name: 4-[(E)-2-cyano-3-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]acryloyl]-N,N-dimethyl-piperazine-1-sulfonamide Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)N3CCN(CC3)S(=O)(=O)N(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C(\C#N)/C(=O)N3CCN(CC3)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C23H29N5O3S/c1-17-6-8-22(9-7-17)28-18(2)14-20(19(28)3)15-21(16-24)23(29)26-10-12-27(13-11-26)32(30,31)25(4)5/h6-9,14-15H,10-13H2,1-5H3/b21-15+