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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)propionamide Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C20H21ClN2O5S/c21-16-6-5-15(12-19(16)29(25,26)23-9-1-2-10-23)22-20(24)8-4-14-3-7-17-18(11-14)28-13-27-17/h3,5-7,11-12H,1-2,4,8-10,13H2,(H,22,24)