N-[3-(dimethylamino)-2-oxidanyl-propyl]-N-(4-methylphenyl)-4-nitro-benzenesulfonamide

Systemtic Name: N-[3-(dimethylamino)-2-oxidanyl-propyl]-N-(4-methylphenyl)-4-nitro-benzenesulfonamide Openeye Name: N-[3-(dimethylamino)-2-hydroxy-propyl]-4-nitro-N-(p-tolyl)benzenesulfonamide CAS Name: N-[3-(dimethylamino)-2-hydroxypropyl]-N-(4-methylphenyl)-4-nitrobenzenesulfonamide IUPAC Name: N-[3-(dimethylamino)-2-hydroxypropyl]-N-(4-methylphenyl)-4-nitrobenzenesulfonamide Traditional Name: N-[3-(dimethylamino)-2-hydroxy-propyl]-4-nitro-N-(p-tolyl)benzenesulfonamide Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(CN(C)C)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(CN(C)C)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O5S/c1-14-4-6-15(7-5-14)20(13-17(22)12-19(2)3)27(25,26)18-10-8-16(9-11-18)21(23)24/h4-11,17,22H,12-13H2,1-3H3