2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C22H27N3O3S2/c26-22(25-15-7-9-18-8-3-4-10-20(18)25)17-29-21-12-11-19(16-23-21)30(27,28)24-13-5-1-2-6-14-24/h3-4,8,10-12,16H,1-2,5-7,9,13-15,17H2