1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[2-(phenylmethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[2-(phenylmethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(2-benzylphenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[2-(phenylmethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(2-benzylphenyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-benzylphenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O5S/c1-19-11-12-23(29(31)32)18-25(19)35(33,34)28-15-13-21(14-16-28)26(30)27-24-10-6-5-9-22(24)17-20-7-3-2-4-8-20/h2-12,18,21H,13-17H2,1H3,(H,27,30)