2,3-dimethyl-N-[2-methyl-6-(4-oxidanylpiperidin-1-yl)carbonyl-phenyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2,3-dimethyl-N-[2-methyl-6-(4-oxidanylpiperidin-1-yl)carbonyl-phenyl]-5-nitro-benzenesulfonamide Openeye Name: N-[2-(4-hydroxypiperidine-1-carbonyl)-6-methyl-phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[2-[(4-hydroxy-1-piperidinyl)-oxomethyl]-6-methylphenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-[2-(4-hydroxypiperidine-1-carbonyl)-6-methylphenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-[2-(4-hydroxypiperidine-1-carbonyl)-6-methyl-phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NS(=O)(=O)C2=C(C(=CC(=C2)[N+](=O)[O-])C)C)C(=O)N3CCC(CC3)O

Isomeric SMILES

CC1=CC=CC(=C1NS(=O)(=O)C2=C(C(=CC(=C2)[N+](=O)[O-])C)C)C(=O)N3CCC(CC3)O

InChI

InChI=1S/C21H25N3O6S/c1-13-5-4-6-18(21(26)23-9-7-17(25)8-10-23)20(13)22-31(29,30)19-12-16(24(27)28)11-14(2)15(19)3/h4-6,11-12,17,22,25H,7-10H2,1-3H3