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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-piperonyl-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propionamide Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H23N3O5S2/c1-14(20(24)22-11-15-4-6-17-18(10-15)28-13-27-17)29-19-7-5-16(12-21-19)30(25,26)23-8-2-3-9-23/h4-7,10,12,14H,2-3,8-9,11,13H2,1H3,(H,22,24)/t14-/m1/s1