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

Systemtic Name: N-cyclohexyl-N-ethyl-4-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-cyclohexyl-N-ethyl-4-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-cyclohexyl-N-ethyl-4-[[4-[4-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-cyclohexyl-N-ethyl-4-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-cyclohexyl-N-ethyl-4-[4-[4-(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=CC=C5SC

Isomeric SMILES

CCN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=CC=C5SC

InChI

InChI=1S/C27H34N4O3S3/c1-3-31(21-8-5-4-6-9-21)37(33,34)22-14-12-20(13-15-22)26(32)29-16-18-30(19-17-29)27-28-25-23(35-2)10-7-11-24(25)36-27/h7,10-15,21H,3-6,8-9,16-19H2,1-2H3