N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4,6,8-trimethyl-2-quinolyl)thio]propionamide Formula: C27H33N3O3S2 MolecularWeight: 511.69922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C)C

InChI

InChI=1S/C27H33N3O3S2/c1-19-16-21(3)27-24(17-19)20(2)18-26(29-27)34-15-12-25(31)28-22-8-10-23(11-9-22)35(32,33)30-13-6-4-5-7-14-30/h8-11,16-18H,4-7,12-15H2,1-3H3,(H,28,31)