N-(2-methyl-5-nitro-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide CAS Name: N-(2-methyl-5-nitrophenyl)-1-(3-phenylpropylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-1-(3-phenylpropylsulfonyl)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)CCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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