(E)-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-2-[4-(4-acetylphenyl)sulfonylpiperazine-1-carbonyl]-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enenitrile CAS Name: (E)-2-[[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(4-acetylphenyl)sulfonylpiperazine-1-carbonyl]-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enenitrile Traditional Name: (E)-2-[4-(4-acetylphenyl)sulfonylpiperazine-1-carbonyl]-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylonitrile Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C)C

InChI

InChI=1S/C25H30N4O4S/c1-5-10-29-18(2)15-22(19(29)3)16-23(17-26)25(31)27-11-13-28(14-12-27)34(32,33)24-8-6-21(7-9-24)20(4)30/h6-9,15-16H,5,10-14H2,1-4H3/b23-16+