2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-(4H-3,1-benzothiazin-2-ylthio)-1-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone IUPAC Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-(4H-3,1-benzothiazin-2-ylthio)-1-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C23H25N3O3S3 MolecularWeight: 487.6579

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CSC4=NC5=CC=CC=C5CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CSC4=NC5=CC=CC=C5CS4

InChI

InChI=1S/C23H25N3O3S3/c27-22(16-31-23-24-20-8-2-1-6-18(20)15-30-23)26-13-5-7-17-14-19(9-10-21(17)26)32(28,29)25-11-3-4-12-25/h1-2,6,8-10,14H,3-5,7,11-13,15-16H2