4-(1,3-benzothiazol-2-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]butan-1-one Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H27N3O3S2/c1-17-10-11-19(16-18(17)2)31(28,29)26-14-12-25(13-15-26)23(27)9-5-8-22-24-20-6-3-4-7-21(20)30-22/h3-4,6-7,10-11,16H,5,8-9,12-15H2,1-2H3