N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(4-methyl-2-quinolinyl)thio]butanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methyl-2-quinolyl)thio]butyramide Formula: C26H31N3O3S2 MolecularWeight: 497.67264

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O3S2/c1-3-24(33-25-18-19(2)22-10-6-7-11-23(22)28-25)26(30)27-20-12-14-21(15-13-20)34(31,32)29-16-8-4-5-9-17-29/h6-7,10-15,18,24H,3-5,8-9,16-17H2,1-2H3,(H,27,30)