dimethyl-[3-[(3-nitrophenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]azanium

Systemtic Name: dimethyl-[3-[(3-nitrophenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]azanium Openeye Name: [3-[N-(benzenesulfonyl)-3-nitro-anilino]-2-hydroxy-propyl]-dimethyl-ammonium CAS Name: [3-[N-(benzenesulfonyl)-3-nitroanilino]-2-hydroxypropyl]-dimethylammonium IUPAC Name: [3-[N-(benzenesulfonyl)-3-nitroanilino]-2-hydroxypropyl]-dimethylazanium Traditional Name: [3-(N-besyl-3-nitro-anilino)-2-hydroxy-propyl]-dimethyl-ammonium Formula: C17H22N3O5S+ MolecularWeight: 380.43868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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