[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-pyrazol-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-pyrazol-1-yl]-(4-nitrophenyl)methanone Openeye Name: [3,5-dimethyl-4-[(4-methyl-1-piperidyl)sulfonyl]pyrazol-1-yl]-(4-nitrophenyl)methanone CAS Name: [3,5-dimethyl-4-[(4-methyl-1-piperidinyl)sulfonyl]-1-pyrazolyl]-(4-nitrophenyl)methanone IUPAC Name: [3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-(4-nitrophenyl)methanone Traditional Name: [3,5-dimethyl-4-(4-methylpiperidino)sulfonyl-pyrazol-1-yl]-(4-nitrophenyl)methanone Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H22N4O5S/c1-12-8-10-20(11-9-12)28(26,27)17-13(2)19-21(14(17)3)18(23)15-4-6-16(7-5-15)22(24)25/h4-7,12H,8-11H2,1-3H3