6-chloranyl-7-[4-(2-phenylsulfanylethyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

Systemtic Name: 6-chloranyl-7-[4-(2-phenylsulfanylethyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one Openeye Name: 6-chloro-7-[4-(2-phenylsulfanylethyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one CAS Name: 6-chloro-7-[[4-[2-(phenylthio)ethyl]-1-piperazinyl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one IUPAC Name: 6-chloro-7-[4-(2-phenylsulfanylethyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one Traditional Name: 6-chloro-7-[4-[2-(phenylthio)ethyl]piperazino]sulfonyl-3,4-dihydrocarbostyril Formula: C21H24ClN3O3S2 MolecularWeight: 466.01656

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=CC(=C(C=C21)Cl)S(=O)(=O)N3CCN(CC3)CCSC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)NC2=CC(=C(C=C21)Cl)S(=O)(=O)N3CCN(CC3)CCSC4=CC=CC=C4

InChI

InChI=1S/C21H24ClN3O3S2/c22-18-14-16-6-7-21(26)23-19(16)15-20(18)30(27,28)25-10-8-24(9-11-25)12-13-29-17-4-2-1-3-5-17/h1-5,14-15H,6-13H2,(H,23,26)