N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanyl-propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(8-methoxy-4-methyl-2-quinolinyl)thio]propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(8-methoxy-4-methyl-2-quinolyl)thio]propionamide Formula: C26H31N3O4S2 MolecularWeight: 513.67204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OC)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OC)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H31N3O4S2/c1-18-17-24(28-25-22(18)9-8-10-23(25)33-3)34-19(2)26(30)27-20-11-13-21(14-12-20)35(31,32)29-15-6-4-5-7-16-29/h8-14,17,19H,4-7,15-16H2,1-3H3,(H,27,30)