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

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 1-[4-(4-mesyl-1,3-benzothiazol-2-yl)piperazino]-4-(4-methoxyphenyl)sulfonyl-butan-1-one Formula: C23H27N3O6S3 MolecularWeight: 537.67198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

InChI

InChI=1S/C23H27N3O6S3/c1-32-17-8-10-18(11-9-17)35(30,31)16-4-7-21(27)25-12-14-26(15-13-25)23-24-22-19(33-23)5-3-6-20(22)34(2,28)29/h3,5-6,8-11H,4,7,12-16H2,1-2H3