4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzenesulfonamide

Systemtic Name: 4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzenesulfonamide Openeye Name: 4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzenesulfonamide CAS Name: 4-(4-nitrophenyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzenesulfonamide IUPAC Name: 4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzenesulfonamide Traditional Name: 4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzenesulfonamide Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c22-21(23)17-7-3-15(4-8-17)16-5-9-18(10-6-16)26(24,25)19-11-14-20-12-1-2-13-20/h3-10,19H,1-2,11-14H2/p+1