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

Systemtic Name: N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzenesulfonamide CAS Name: N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzenesulfonamide Traditional Name: N-(2-cyanoethyl)-4-(4-nitrophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzenesulfonamide Formula: C21H25N4O4S+ MolecularWeight: 429.5126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN(CCC#N)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCN(CCC#N)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c22-12-3-15-24(17-16-23-13-1-2-14-23)30(28,29)21-10-6-19(7-11-21)18-4-8-20(9-5-18)25(26)27/h4-11H,1-3,13-17H2/p+1