(E)-3-(4-methylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(4-methylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-2-[4-(2-nitrophenyl)sulfonylpiperazine-1-carbonyl]-3-(p-tolyl)prop-2-enenitrile CAS Name: (E)-3-(4-methylphenyl)-2-[[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-methylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-2-[4-(2-nitrophenyl)sulfonylpiperazine-1-carbonyl]-3-(p-tolyl)acrylonitrile Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5S/c1-16-6-8-17(9-7-16)14-18(15-22)21(26)23-10-12-24(13-11-23)31(29,30)20-5-3-2-4-19(20)25(27)28/h2-9,14H,10-13H2,1H3/b18-14+