(2R)-N-(phenylmethyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(phenylmethyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-benzyl-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propanamide CAS Name: (2R)-N-(phenylmethyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: (2R)-N-benzyl-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-benzyl-2-[(5-piperidinosulfonyl-2-pyridyl)thio]propionamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H25N3O3S2/c1-16(20(24)22-14-17-8-4-2-5-9-17)27-19-11-10-18(15-21-19)28(25,26)23-12-6-3-7-13-23/h2,4-5,8-11,15-16H,3,6-7,12-14H2,1H3,(H,22,24)/t16-/m1/s1