N-cyclohexyl-N-ethyl-4-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-cyclohexyl-N-ethyl-4-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-cyclohexyl-N-ethyl-4-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-cyclohexyl-N-ethyl-4-[[4-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-cyclohexyl-N-ethyl-4-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-cyclohexyl-N-ethyl-4-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]piperazine-1-carbonyl]benzenesulfonamide Formula: C27H34N4O3S3 MolecularWeight: 558.77886

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)SC

Isomeric SMILES

CCN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)SC

InChI

InChI=1S/C27H34N4O3S3/c1-3-31(21-7-5-4-6-8-21)37(33,34)23-12-9-20(10-13-23)26(32)29-15-17-30(18-16-29)27-28-24-14-11-22(35-2)19-25(24)36-27/h9-14,19,21H,3-8,15-18H2,1-2H3