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

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-1-(4-propan-2-ylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(4-isopropylphenyl)sulfonyl-N-(2-methyl-5-nitro-phenyl)piperidine-4-carboxamide CAS Name: N-(2-methyl-5-nitrophenyl)-1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-1-p-cumenylsulfonyl-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-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C

InChI

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