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

Systemtic Name: N-[3-(dimethylamino)-2-oxidanyl-propyl]-N-(4-methylphenyl)-2-nitro-benzenesulfonamide Openeye Name: N-[3-(dimethylamino)-2-hydroxy-propyl]-2-nitro-N-(p-tolyl)benzenesulfonamide CAS Name: N-[3-(dimethylamino)-2-hydroxypropyl]-N-(4-methylphenyl)-2-nitrobenzenesulfonamide IUPAC Name: N-[3-(dimethylamino)-2-hydroxypropyl]-N-(4-methylphenyl)-2-nitrobenzenesulfonamide Traditional Name: N-[3-(dimethylamino)-2-hydroxy-propyl]-2-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=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

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