1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylmethyl)sulfonyl-butan-1-one

Systemtic Name: 1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylmethyl)sulfonyl-butan-1-one Openeye Name: 4-benzylsulfonyl-1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(phenylmethyl)sulfonyl-1-butanone IUPAC Name: 4-benzylsulfonyl-1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-benzylsulfonyl-1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C24H29N3O3S2 MolecularWeight: 471.63536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N3CCN(CC3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N3CCN(CC3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H29N3O3S2/c1-18-15-19(2)23-21(16-18)25-24(31-23)27-12-10-26(11-13-27)22(28)9-6-14-32(29,30)17-20-7-4-3-5-8-20/h3-5,7-8,15-16H,6,9-14,17H2,1-2H3