2-(4-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-(4-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[(4-methyl-6-pyrrolidin-1-ylsulfonyl-2-quinolyl)sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-methyl-6-(1-pyrrolidinylsulfonyl)-2-quinolinyl]thio]-N-phenylacetamide IUPAC Name: 2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(4-methyl-6-pyrrolidinosulfonyl-2-quinolyl)thio]-N-phenyl-acetamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3)SCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S2/c1-16-13-22(29-15-21(26)23-17-7-3-2-4-8-17)24-20-10-9-18(14-19(16)20)30(27,28)25-11-5-6-12-25/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,23,26)