[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: [1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: [4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(p-tolylsulfonyl)pyrrolidin-2-yl]methanone CAS Name: [1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]methanone IUPAC Name: [1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: [4-[6-(methylthio)-1,3-benzothiazol-2-yl]piperazino]-(1-tosylpyrrolidin-2-yl)methanone Formula: C24H28N4O3S3 MolecularWeight: 516.69912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)SC

InChI

InChI=1S/C24H28N4O3S3/c1-17-5-8-19(9-6-17)34(30,31)28-11-3-4-21(28)23(29)26-12-14-27(15-13-26)24-25-20-10-7-18(32-2)16-22(20)33-24/h5-10,16,21H,3-4,11-15H2,1-2H3