1-(4-methylphenyl)sulfonyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide Openeye Name: N-[4-(3-nitrophenyl)thiazol-2-yl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[4-(3-nitrophenyl)-2-thiazolyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide Traditional Name: N-[4-(3-nitrophenyl)thiazol-2-yl]-1-tosyl-isonipecotamide Formula: C22H22N4O5S2 MolecularWeight: 486.56388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5S2/c1-15-5-7-19(8-6-15)33(30,31)25-11-9-16(10-12-25)21(27)24-22-23-20(14-32-22)17-3-2-4-18(13-17)26(28)29/h2-8,13-14,16H,9-12H2,1H3,(H,23,24,27)