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

Systemtic Name: N-[3-(dimethylamino)-2-oxidanyl-propyl]-4-nitro-N-phenyl-benzenesulfonamide Openeye Name: N-[3-(dimethylamino)-2-hydroxy-propyl]-4-nitro-N-phenyl-benzenesulfonamide CAS Name: N-[3-(dimethylamino)-2-hydroxypropyl]-4-nitro-N-phenylbenzenesulfonamide IUPAC Name: N-[3-(dimethylamino)-2-hydroxypropyl]-4-nitro-N-phenylbenzenesulfonamide Traditional Name: N-[3-(dimethylamino)-2-hydroxy-propyl]-4-nitro-N-phenyl-benzenesulfonamide Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5S/c1-18(2)12-16(21)13-19(14-6-4-3-5-7-14)26(24,25)17-10-8-15(9-11-17)20(22)23/h3-11,16,21H,12-13H2,1-2H3