N-[(2,3-dimethylphenyl)carbamoyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2,3-dimethylphenyl)carbamoyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(2,3-dimethylphenyl)carbamoyl]-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-[(2,3-dimethylanilino)-oxomethyl]-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[(2,3-dimethylphenyl)carbamoyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[(2,3-dimethylphenyl)carbamoyl]-2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetamide Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)C

InChI

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