3-[3,5-dimethyl-4-[3-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3,5-dimethyl-4-[3-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3,5-dimethyl-4-[3-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3,5-dimethyl-4-[3-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3,5-dimethyl-4-[3-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[3-keto-3-[4-(2-nitrophenyl)sulfonylpiperazino]propyl]-3,5-dimethyl-pyrazol-1-yl]propionitrile Formula: C21H26N6O5S MolecularWeight: 474.53334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O5S/c1-16-18(17(2)26(23-16)11-5-10-22)8-9-21(28)24-12-14-25(15-13-24)33(31,32)20-7-4-3-6-19(20)27(29)30/h3-4,6-7H,5,8-9,11-15H2,1-2H3