(2R)-N-(1,3-benzodioxol-5-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propionamide Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H21N3O5S2/c1-13(19(23)21-14-4-6-16-17(10-14)27-12-26-16)28-18-7-5-15(11-20-18)29(24,25)22-8-2-3-9-22/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H,21,23)/t13-/m1/s1