1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]propan-1-one CAS Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylpropan-1-one Traditional Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-morpholinosulfonyl-2-pyridyl)thio]propan-1-one Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=CC=CC=C21)SC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC(C(=O)N1CCCC2=CC=CC=C21)SC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H25N3O4S2/c1-16(21(25)24-10-4-6-17-5-2-3-7-19(17)24)29-20-9-8-18(15-22-20)30(26,27)23-11-13-28-14-12-23/h2-3,5,7-9,15-16H,4,6,10-14H2,1H3