[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

Systemtic Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone Openeye Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone CAS Name: [4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-(1,3,5-trimethyl-4-pyrazolyl)methanone IUPAC Name: [4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone Traditional Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-(1,3,5-trimethylpyrazol-4-yl)methanone Formula: C18H23N5O5S MolecularWeight: 421.47072

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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)C3=C(N(N=C3C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N(N=C3C)C)C

InChI

InChI=1S/C18H23N5O5S/c1-12-5-6-15(23(25)26)11-16(12)29(27,28)22-9-7-21(8-10-22)18(24)17-13(2)19-20(4)14(17)3/h5-6,11H,7-10H2,1-4H3