N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6,7-dimethoxy-3-methyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6,7-dimethoxy-3-methyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(6,7-dimethoxy-3-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(6,7-dimethoxy-3-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(6,7-dimethoxy-3-methyl-2-quinolyl)thio]acetamide Formula: C26H31N3O5S2 MolecularWeight: 529.67144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O5S2/c1-18-14-19-15-23(33-2)24(34-3)16-22(19)28-26(18)35-17-25(30)27-20-8-10-21(11-9-20)36(31,32)29-12-6-4-5-7-13-29/h8-11,14-16H,4-7,12-13,17H2,1-3H3,(H,27,30)