N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(3-chlorophenyl)-3-methylquinoline-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3-chlorophenyl)-3-methyl-cinchoninamide Formula: C30H30ClN3O3S MolecularWeight: 548.0955

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC(=CC=C4)Cl)C)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC(=CC=C4)Cl)C)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C30H30ClN3O3S/c1-20-14-15-24(19-27(20)38(36,37)34-16-7-3-4-8-17-34)32-30(35)28-21(2)29(22-10-9-11-23(31)18-22)33-26-13-6-5-12-25(26)28/h5-6,9-15,18-19H,3-4,7-8,16-17H2,1-2H3,(H,32,35)