1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-(4-methyl-2-oxidanyl-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-(4-methyl-2-oxidanyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-(2-hydroxy-4-methyl-phenyl)piperidine-4-carboxamide CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2-hydroxy-4-methylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-(2-hydroxy-4-methyl-phenyl)isonipecotamide Formula: C19H20ClN3O6S MolecularWeight: 453.8966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O6S/c1-12-2-5-16(17(24)10-12)21-19(25)13-6-8-22(9-7-13)30(28,29)18-11-14(23(26)27)3-4-15(18)20/h2-5,10-11,13,24H,6-9H2,1H3,(H,21,25)