1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide Openeye Name: N-(4-isopropylphenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-(4-propan-2-ylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-p-cumenyl-isonipecotamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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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=C(C=C3)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H27N3O5S/c1-15(2)17-5-7-19(8-6-17)23-22(26)18-10-12-24(13-11-18)31(29,30)21-14-20(25(27)28)9-4-16(21)3/h4-9,14-15,18H,10-13H2,1-3H3,(H,23,26)