N-(2-methyl-3-nitro-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide CAS Name: N-(2-methyl-3-nitrophenyl)-1-(3-phenylpropylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-1-(3-phenylpropylsulfonyl)isonipecotamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O5S/c1-17-20(10-5-11-21(17)25(27)28)23-22(26)19-12-14-24(15-13-19)31(29,30)16-6-9-18-7-3-2-4-8-18/h2-5,7-8,10-11,19H,6,9,12-16H2,1H3,(H,23,26)