N-methyl-1-(4-methylphenyl)sulfonyl-N-[1-(3-nitrophenyl)ethyl]piperidine-4-carboxamide

Systemtic Name: N-methyl-1-(4-methylphenyl)sulfonyl-N-[1-(3-nitrophenyl)ethyl]piperidine-4-carboxamide Openeye Name: N-methyl-N-[1-(3-nitrophenyl)ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-methyl-1-(4-methylphenyl)sulfonyl-N-[1-(3-nitrophenyl)ethyl]-4-piperidinecarboxamide IUPAC Name: N-methyl-1-(4-methylphenyl)sulfonyl-N-[1-(3-nitrophenyl)ethyl]piperidine-4-carboxamide Traditional Name: N-methyl-N-[1-(3-nitrophenyl)ethyl]-1-tosyl-isonipecotamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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