2-nitro-N-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzenesulfonamide

Systemtic Name: 2-nitro-N-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzenesulfonamide Openeye Name: 2-nitro-N-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzenesulfonamide CAS Name: 2-nitro-N-[(1S)-1-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]benzenesulfonamide IUPAC Name: 2-nitro-N-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-ylethyl]benzenesulfonamide Traditional Name: 2-nitro-N-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzenesulfonamide Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)C[C@H](C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S/c22-21(23)17-10-4-5-11-18(17)26(24,25)19-16(14-20-12-6-7-13-20)15-8-2-1-3-9-15/h1-5,8-11,16,19H,6-7,12-14H2/p+1/t16-/m1/s1