4-(4-methylphenyl)sulfonyl-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-methylphenyl)sulfonyl-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(p-tolylsulfonyl)butan-1-one CAS Name: 4-(4-methylphenyl)sulfonyl-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-methylphenyl)sulfonyl-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 1-[4-(6-mesyl-1,3-benzothiazol-2-yl)piperazino]-4-tosyl-butan-1-one Formula: C23H27N3O5S3 MolecularWeight: 521.67258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C23H27N3O5S3/c1-17-5-7-18(8-6-17)34(30,31)15-3-4-22(27)25-11-13-26(14-12-25)23-24-20-10-9-19(33(2,28)29)16-21(20)32-23/h5-10,16H,3-4,11-15H2,1-2H3