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

Systemtic Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(4-nitrophenyl)sulfonylpiperazine-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(4-nitrophenyl)sulfonylpiperazine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-nosylpiperazine-1-carbonyl)acrylonitrile Formula: C23H25N5O5S MolecularWeight: 483.5401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C(C#N)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C(\C#N)/C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O5S/c1-16-13-18(17(2)27(16)20-3-4-20)14-19(15-24)23(29)25-9-11-26(12-10-25)34(32,33)22-7-5-21(6-8-22)28(30)31/h5-8,13-14,20H,3-4,9-12H2,1-2H3/b19-14+