N-[4-(3-methylpiperidin-1-yl)carbonylphenyl]-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-[4-(3-methylpiperidin-1-yl)carbonylphenyl]-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: 4-hydroxy-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-hydroxy-N-[4-[(3-methyl-1-piperidinyl)-oxomethyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-hydroxy-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-hydroxy-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]-3-nitro-benzenesulfonamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c1-13-3-2-10-21(12-13)19(24)14-4-6-15(7-5-14)20-29(27,28)16-8-9-18(23)17(11-16)22(25)26/h4-9,11,13,20,23H,2-3,10,12H2,1H3