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

Systemtic Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propan-1-one CAS Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropan-1-one Traditional Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propan-1-one Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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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)N4CCCC4

Isomeric SMILES

CC(C(=O)N1CCCC2=CC=CC=C21)SC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H25N3O3S2/c1-16(21(25)24-14-6-8-17-7-2-3-9-19(17)24)28-20-11-10-18(15-22-20)29(26,27)23-12-4-5-13-23/h2-3,7,9-11,15-16H,4-6,8,12-14H2,1H3