4-methyl-N-(3-nitrophenyl)-N-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-(3-nitrophenyl)-N-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl]benzenesulfonamide Openeye Name: N-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide CAS Name: N-[(2S)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide IUPAC Name: N-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide Traditional Name: N-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide Formula: C20H26N3O5S+ MolecularWeight: 420.50254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[NH+]2CCCC2)O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C[NH+]2CCCC2)O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-16-7-9-20(10-8-16)29(27,28)22(15-19(24)14-21-11-2-3-12-21)17-5-4-6-18(13-17)23(25)26/h4-10,13,19,24H,2-3,11-12,14-15H2,1H3/p+1/t19-/m0/s1