N-[4-(azepan-1-ylsulfonyl)phenyl]-2-quinolin-2-ylsulfanyl-propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-quinolin-2-ylsulfanyl-propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-quinolylsulfanyl)propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(2-quinolinylthio)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-quinolin-2-ylsulfanylpropanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-quinolylthio)propionamide Formula: C24H27N3O3S2 MolecularWeight: 469.61948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)SC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)SC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H27N3O3S2/c1-18(31-23-15-10-19-8-4-5-9-22(19)26-23)24(28)25-20-11-13-21(14-12-20)32(29,30)27-16-6-2-3-7-17-27/h4-5,8-15,18H,2-3,6-7,16-17H2,1H3,(H,25,28)