N-[3-(azepan-1-ylsulfonyl)phenyl]-6-methoxy-2-methyl-quinoline-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-6-methoxy-2-methyl-quinoline-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-6-methoxy-2-methyl-quinoline-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-6-methoxy-2-methyl-3-quinolinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-6-methoxy-2-methyl-quinoline-3-carboxamide Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H27N3O4S/c1-17-22(15-18-14-20(31-2)10-11-23(18)25-17)24(28)26-19-8-7-9-21(16-19)32(29,30)27-12-5-3-4-6-13-27/h7-11,14-16H,3-6,12-13H2,1-2H3,(H,26,28)