N-(4-morpholin-4-ylsulfonylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(4-morpholinosulfonylphenyl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(4-morpholin-4-ylsulfonylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(4-morpholinosulfonylphenyl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]butyramide Formula: C26H31N3O4S2 MolecularWeight: 513.67204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)SC3=NC4=C(C=C(C=C4C(=C3)C)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)SC3=NC4=C(C=C(C=C4C(=C3)C)C)C

InChI

InChI=1S/C26H31N3O4S2/c1-5-23(34-24-16-18(3)22-15-17(2)14-19(4)25(22)28-24)26(30)27-20-6-8-21(9-7-20)35(31,32)29-10-12-33-13-11-29/h6-9,14-16,23H,5,10-13H2,1-4H3,(H,27,30)