2-chloranyl-N,N-diethyl-5-[4-(2-phenylsulfanylethyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 2-chloranyl-N,N-diethyl-5-[4-(2-phenylsulfanylethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 2-chloro-N,N-diethyl-5-[4-(2-phenylsulfanylethyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: 2-chloro-N,N-diethyl-5-[oxo-[4-[2-(phenylthio)ethyl]-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 2-chloro-N,N-diethyl-5-[4-(2-phenylsulfanylethyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 2-chloro-N,N-diethyl-5-[4-[2-(phenylthio)ethyl]piperazine-1-carbonyl]benzenesulfonamide Formula: C23H30ClN3O3S2 MolecularWeight: 496.0856

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCN(CC2)CCSC3=CC=CC=C3)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCN(CC2)CCSC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H30ClN3O3S2/c1-3-27(4-2)32(29,30)22-18-19(10-11-21(22)24)23(28)26-14-12-25(13-15-26)16-17-31-20-8-6-5-7-9-20/h5-11,18H,3-4,12-17H2,1-2H3