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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)sulfonyl-butan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(p-tolylsulfonyl)butan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(4-methylphenyl)sulfonyl-1-butanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)sulfonylbutan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperazino]-4-tosyl-butan-1-one Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O3S2/c1-17-8-10-18(11-9-17)30(27,28)16-4-7-21(26)24-12-14-25(15-13-24)22-23-19-5-2-3-6-20(19)29-22/h2-3,5-6,8-11H,4,7,12-16H2,1H3