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

Systemtic Name: N-[3-(3-methylpiperidin-1-yl)carbonyl-4-oxidanyl-phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-hydroxy-3-(3-methylpiperidine-1-carbonyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-hydroxy-3-[(3-methyl-1-piperidinyl)-oxomethyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-hydroxy-3-(3-methylpiperidine-1-carbonyl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-hydroxy-3-(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=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

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