N-(2-hydroxyphenyl)-1-(4-methylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: N-(2-hydroxyphenyl)-1-(4-methylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-(4-methylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-(4-methylsulfonyl-2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-(4-methylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-(4-mesyl-2-nitro-phenyl)isonipecotamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(=O)NC3=CC=CC=C3O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(=O)NC3=CC=CC=C3O)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c1-29(27,28)14-6-7-16(17(12-14)22(25)26)21-10-8-13(9-11-21)19(24)20-15-4-2-3-5-18(15)23/h2-7,12-13,23H,8-11H2,1H3,(H,20,24)