N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-methylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-methylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-methyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-[(4-methyl-2-quinolinyl)thio]propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-methylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-methyl-2-quinolyl)thio]propionamide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O3S2/c1-19-18-25(27-23-9-5-4-8-22(19)23)32-17-14-24(29)26-20-10-12-21(13-11-20)33(30,31)28-15-6-2-3-7-16-28/h4-5,8-13,18H,2-3,6-7,14-17H2,1H3,(H,26,29)