8-chloranyl-N-[1-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]ethyl]quinoline-5-sulfonamide

Systemtic Name: 8-chloranyl-N-[1-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]ethyl]quinoline-5-sulfonamide Openeye Name: 8-chloro-N-[1-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]ethyl]quinoline-5-sulfonamide CAS Name: 8-chloro-N-[1-[4-[3-(phenylthio)propyl]-1-piperazinyl]ethyl]-5-quinolinesulfonamide IUPAC Name: 8-chloro-N-[1-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]ethyl]quinoline-5-sulfonamide Traditional Name: 8-chloro-N-[1-[4-[3-(phenylthio)propyl]piperazino]ethyl]quinoline-5-sulfonamide Formula: C24H29ClN4O2S2 MolecularWeight: 505.09566

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Descriptors Computed from Structure

Canonical SMILES:

CC(NS(=O)(=O)C1=C2C=CC=NC2=C(C=C1)Cl)N3CCN(CC3)CCCSC4=CC=CC=C4

Isomeric SMILES

CC(NS(=O)(=O)C1=C2C=CC=NC2=C(C=C1)Cl)N3CCN(CC3)CCCSC4=CC=CC=C4

InChI

InChI=1S/C24H29ClN4O2S2/c1-19(27-33(30,31)23-11-10-22(25)24-21(23)9-5-12-26-24)29-16-14-28(15-17-29)13-6-18-32-20-7-3-2-4-8-20/h2-5,7-12,19,27H,6,13-18H2,1H3