1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylsulfonyl)ethanone

Systemtic Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylsulfonyl)ethanone Openeye Name: 2-(benzenesulfonyl)-1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(benzenesulfonyl)-1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(benzenesulfonyl)-1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-besyl-1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)CS(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)CS(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C21H23N3O3S2/c1-15-8-9-18-20(16(15)2)22-21(28-18)24-12-10-23(11-13-24)19(25)14-29(26,27)17-6-4-3-5-7-17/h3-9H,10-14H2,1-2H3