N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(7-methoxy-3-methyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(7-methoxy-3-methyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(7-methoxy-3-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(7-methoxy-3-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(7-methoxy-3-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(7-methoxy-3-methyl-2-quinolyl)thio]acetamide Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=C(C=CC2=C1)OC)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(N=C2C=C(C=CC2=C1)OC)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O4S2/c1-18-15-19-7-10-21(32-2)16-23(19)27-25(18)33-17-24(29)26-20-8-11-22(12-9-20)34(30,31)28-13-5-3-4-6-14-28/h7-12,15-16H,3-6,13-14,17H2,1-2H3,(H,26,29)