N-(2,4-dimethylphenyl)-3-nitro-4-(3-oxidanylpiperidin-1-yl)benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-3-nitro-4-(3-oxidanylpiperidin-1-yl)benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-(3-hydroxy-1-piperidyl)-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-(3-hydroxy-1-piperidinyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-(3-hydroxypiperidin-1-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-(3-hydroxypiperidino)-3-nitro-benzenesulfonamide Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCC(C3)O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCC(C3)O)[N+](=O)[O-])C

InChI

InChI=1S/C19H23N3O5S/c1-13-5-7-17(14(2)10-13)20-28(26,27)16-6-8-18(19(11-16)22(24)25)21-9-3-4-15(23)12-21/h5-8,10-11,15,20,23H,3-4,9,12H2,1-2H3