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

Systemtic Name: 1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylmethyl)sulfonyl-butan-1-one Openeye Name: 4-benzylsulfonyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 1-[4-(4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(phenylmethyl)sulfonyl-1-butanone IUPAC Name: 4-benzylsulfonyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-benzylsulfonyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3S2/c1-18-7-5-10-20-22(18)24-23(30-20)26-14-12-25(13-15-26)21(27)11-6-16-31(28,29)17-19-8-3-2-4-9-19/h2-5,7-10H,6,11-17H2,1H3