3,4-diethoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 3,4-diethoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 3,4-diethoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 3,4-diethoxy-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 3,4-diethoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 3,4-diethoxy-N-[4-(pyrrolidinomethyl)benzyl]benzenesulfonamide Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)CN3CCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)CN3CCCC3)OCC

InChI

InChI=1S/C22H30N2O4S/c1-3-27-21-12-11-20(15-22(21)28-4-2)29(25,26)23-16-18-7-9-19(10-8-18)17-24-13-5-6-14-24/h7-12,15,23H,3-6,13-14,16-17H2,1-2H3