1,3-benzothiazol-6-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 1,3-benzothiazol-6-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 1,3-benzothiazol-6-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 1,3-benzothiazol-6-yl-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 1,3-benzothiazol-6-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 1,3-benzothiazol-6-yl-(4-mesitylsulfonylpiperazino)methanone Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4)C

InChI

InChI=1S/C21H23N3O3S2/c1-14-10-15(2)20(16(3)11-14)29(26,27)24-8-6-23(7-9-24)21(25)17-4-5-18-19(12-17)28-13-22-18/h4-5,10-13H,6-9H2,1-3H3