N-[4-(azepan-1-ylsulfonyl)phenyl]-3-quinolin-2-ylsulfanyl-propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-quinolin-2-ylsulfanyl-propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-quinolylsulfanyl)propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-(2-quinolinylthio)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-quinolin-2-ylsulfanylpropanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-quinolylthio)propionamide Formula: C24H27N3O3S2 MolecularWeight: 469.61948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H27N3O3S2/c28-23(15-18-31-24-14-9-19-7-3-4-8-22(19)26-24)25-20-10-12-21(13-11-20)32(29,30)27-16-5-1-2-6-17-27/h3-4,7-14H,1-2,5-6,15-18H2,(H,25,28)