(2S)-N-(3-methylphenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(3-methylphenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(m-tolyl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propanamide CAS Name: (2S)-N-(3-methylphenyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: (2S)-N-(3-methylphenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(m-tolyl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]propionamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H25N3O3S2/c1-15-7-6-8-17(13-15)22-20(24)16(2)27-19-10-9-18(14-21-19)28(25,26)23-11-4-3-5-12-23/h6-10,13-14,16H,3-5,11-12H2,1-2H3,(H,22,24)/t16-/m0/s1