N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[2-(4-ethoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-(2-p-phenetyl-2-pyrrolidino-ethyl)-1,3-benzodioxole-5-sulfonamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCO3)N4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCO3)N4CCCC4

InChI

InChI=1S/C21H26N2O5S/c1-2-26-17-7-5-16(6-8-17)19(23-11-3-4-12-23)14-22-29(24,25)18-9-10-20-21(13-18)28-15-27-20/h5-10,13,19,22H,2-4,11-12,14-15H2,1H3