(2S)-N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-[(2,4-dimethylphenyl)carbamoyl]-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propanamide CAS Name: (2S)-N-[(2,4-dimethylanilino)-oxomethyl]-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: (2S)-N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-piperidinosulfonyl-2-pyridyl)thio]propionamide Formula: C22H28N4O4S2 MolecularWeight: 476.61212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4S2/c1-15-7-9-19(16(2)13-15)24-22(28)25-21(27)17(3)31-20-10-8-18(14-23-20)32(29,30)26-11-5-4-6-12-26/h7-10,13-14,17H,4-6,11-12H2,1-3H3,(H2,24,25,27,28)/t17-/m0/s1