N-(4-methylphenyl)-2-nitro-N-(2-oxidanyl-3-pyrrolidin-1-yl-propyl)benzenesulfonamide

Systemtic Name: N-(4-methylphenyl)-2-nitro-N-(2-oxidanyl-3-pyrrolidin-1-yl-propyl)benzenesulfonamide Openeye Name: N-(2-hydroxy-3-pyrrolidin-1-yl-propyl)-2-nitro-N-(p-tolyl)benzenesulfonamide CAS Name: N-[2-hydroxy-3-(1-pyrrolidinyl)propyl]-N-(4-methylphenyl)-2-nitrobenzenesulfonamide IUPAC Name: N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-(4-methylphenyl)-2-nitrobenzenesulfonamide Traditional Name: N-(2-hydroxy-3-pyrrolidino-propyl)-2-nitro-N-(p-tolyl)benzenesulfonamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(CN2CCCC2)O)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(CN2CCCC2)O)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-16-8-10-17(11-9-16)22(15-18(24)14-21-12-4-5-13-21)29(27,28)20-7-3-2-6-19(20)23(25)26/h2-3,6-11,18,24H,4-5,12-15H2,1H3