4-[3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile

Systemtic Name: 4-[3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile Openeye Name: 4-[3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]benzonitrile CAS Name: 4-[3-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]benzonitrile IUPAC Name: 4-[3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzonitrile Traditional Name: 4-[3-keto-3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]propyl]benzonitrile Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22N4O5S/c1-16-2-8-19(25(27)28)14-20(16)31(29,30)24-12-10-23(11-13-24)21(26)9-7-17-3-5-18(15-22)6-4-17/h2-6,8,14H,7,9-13H2,1H3