N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propionamide Formula: C22H28N4O4S2 MolecularWeight: 476.61212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H28N4O4S2/c1-15-7-6-8-16(2)21(15)25-19(27)14-24-22(28)17(3)31-20-10-9-18(13-23-20)32(29,30)26-11-4-5-12-26/h6-10,13,17H,4-5,11-12,14H2,1-3H3,(H,24,28)(H,25,27)