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

Systemtic Name: [1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: [4-(6-methylsulfonyl-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-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: [1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: [4-(6-mesyl-1,3-benzothiazol-2-yl)piperazino]-(1-tosylpyrrolidin-2-yl)methanone Formula: C24H28N4O5S3 MolecularWeight: 548.69792

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O5S3/c1-17-5-7-18(8-6-17)36(32,33)28-11-3-4-21(28)23(29)26-12-14-27(15-13-26)24-25-20-10-9-19(35(2,30)31)16-22(20)34-24/h5-10,16,21H,3-4,11-15H2,1-2H3