1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide Openeye Name: N-(3-isopropylphenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-(3-propan-2-ylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide Traditional Name: N-m-cumenyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-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=CC(=C3)C(C)C

Isomeric SMILES

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

InChI

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