1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]piperidine-4-carboxamide

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]piperidine-4-carboxamide Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[2-(2-thienylmethyl)pyrazol-3-yl]piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[2-(thiophen-2-ylmethyl)-3-pyrazolyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]piperidine-4-carboxamide Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[2-(2-thenyl)pyrazol-3-yl]isonipecotamide Formula: C21H23N5O5S2 MolecularWeight: 489.56782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=NN3CC4=CC=CS4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=NN3CC4=CC=CS4

InChI

InChI=1S/C21H23N5O5S2/c1-15-4-5-17(26(28)29)13-19(15)33(30,31)24-10-7-16(8-11-24)21(27)23-20-6-9-22-25(20)14-18-3-2-12-32-18/h2-6,9,12-13,16H,7-8,10-11,14H2,1H3,(H,23,27)