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

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide CAS Name: N-(2-methoxy-5-nitrophenyl)-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-1-(3-phenylpropylsulfonyl)nipecotamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O6S/c1-31-21-12-11-19(25(27)28)15-20(21)23-22(26)18-10-5-13-24(16-18)32(29,30)14-6-9-17-7-3-2-4-8-17/h2-4,7-8,11-12,15,18H,5-6,9-10,13-14,16H2,1H3,(H,23,26)