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

Systemtic Name: (2S)-N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propanamide CAS Name: (2S)-N-[(2,4-dimethylanilino)-oxomethyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: (2S)-N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propionamide Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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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)N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)[C@H](C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C21H26N4O4S2/c1-14-6-8-18(15(2)12-14)23-21(27)24-20(26)16(3)30-19-9-7-17(13-22-19)31(28,29)25-10-4-5-11-25/h6-9,12-13,16H,4-5,10-11H2,1-3H3,(H2,23,24,26,27)/t16-/m0/s1