2-(4-methylquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

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