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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(=CC3=C(N(C(=C3)C)C4CC4)C)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C(=C/C3=C(N(C(=C3)C)C4CC4)C)/C#N

InChI

InChI=1S/C25H30N4O4S/c1-4-33-23-7-9-24(10-8-23)34(31,32)28-13-11-27(12-14-28)25(30)21(17-26)16-20-15-18(2)29(19(20)3)22-5-6-22/h7-10,15-16,22H,4-6,11-14H2,1-3H3/b21-16+