N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolinyl)thio]butanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolyl)thio]butyramide Formula: C28H35N3O3S2 MolecularWeight: 525.7258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O3S2/c1-5-25(35-26-18-20(3)24-17-19(2)16-21(4)27(24)30-26)28(32)29-22-10-12-23(13-11-22)36(33,34)31-14-8-6-7-9-15-31/h10-13,16-18,25H,5-9,14-15H2,1-4H3,(H,29,32)