N,N-diethyl-4-[2-(phenylmethyl)pyrrolidin-1-yl]sulfonyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[2-(phenylmethyl)pyrrolidin-1-yl]sulfonyl-benzenesulfonamide Openeye Name: 4-(2-benzylpyrrolidin-1-yl)sulfonyl-N,N-diethyl-benzenesulfonamide CAS Name: N,N-diethyl-4-[[2-(phenylmethyl)-1-pyrrolidinyl]sulfonyl]benzenesulfonamide IUPAC Name: 4-(2-benzylpyrrolidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide Traditional Name: 4-(2-benzylpyrrolidino)sulfonyl-N,N-diethyl-benzenesulfonamide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O4S2/c1-3-22(4-2)28(24,25)20-12-14-21(15-13-20)29(26,27)23-16-8-11-19(23)17-18-9-6-5-7-10-18/h5-7,9-10,12-15,19H,3-4,8,11,16-17H2,1-2H3