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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-chlorophenyl)-3-methylquinoline-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-chlorophenyl)-3-methyl-cinchoninamide Formula: C29H28ClN3O3S MolecularWeight: 534.06892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C29H28ClN3O3S/c1-20-27(25-14-4-5-15-26(25)32-28(20)21-10-8-11-22(30)18-21)29(34)31-23-12-9-13-24(19-23)37(35,36)33-16-6-2-3-7-17-33/h4-5,8-15,18-19H,2-3,6-7,16-17H2,1H3,(H,31,34)