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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]-N-piperonyl-propionamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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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)N4CCCCC4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H25N3O5S2/c1-15(21(25)23-12-16-5-7-18-19(11-16)29-14-28-18)30-20-8-6-17(13-22-20)31(26,27)24-9-3-2-4-10-24/h5-8,11,13,15H,2-4,9-10,12,14H2,1H3,(H,23,25)/t15-/m1/s1