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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-quinolin-2-ylsulfanyl-butanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-quinolylsulfanyl)butanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(2-quinolinylthio)butanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-quinolin-2-ylsulfanylbutanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-quinolylthio)butyramide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3S2/c1-2-23(32-24-16-11-19-9-5-6-10-22(19)27-24)25(29)26-20-12-14-21(15-13-20)33(30,31)28-17-7-3-4-8-18-28/h5-6,9-16,23H,2-4,7-8,17-18H2,1H3,(H,26,29)