4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-N-cyclohexyl-N-methyl-piperazine-1-sulfonamide

Systemtic Name: 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-N-cyclohexyl-N-methyl-piperazine-1-sulfonamide Openeye Name: 4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-N-cyclohexyl-N-methyl-piperazine-1-sulfonamide CAS Name: 4-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-N-cyclohexyl-N-methyl-1-piperazinesulfonamide IUPAC Name: 4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide Traditional Name: 4-[2-(1,3-benzothiazol-2-ylthio)acetyl]-N-cyclohexyl-N-methyl-piperazine-1-sulfonamide Formula: C20H28N4O3S3 MolecularWeight: 468.65632

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(C1CCCCC1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H28N4O3S3/c1-22(16-7-3-2-4-8-16)30(26,27)24-13-11-23(12-14-24)19(25)15-28-20-21-17-9-5-6-10-18(17)29-20/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3