3-(1,3-benzodioxol-5-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)propionamide Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H26N2O6S/c1-2-28-19-9-7-17(14-21(19)31(26,27)24-11-3-4-12-24)23-22(25)10-6-16-5-8-18-20(13-16)30-15-29-18/h5,7-9,13-14H,2-4,6,10-12,15H2,1H3,(H,23,25)