(2-methylphenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (2-methylphenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: [4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(o-tolyl)methanone CAS Name: (2-methylphenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (2-methylphenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: [4-(6-mesyl-1,3-benzothiazol-2-yl)piperazino]-(o-tolyl)methanone Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C20H21N3O3S2/c1-14-5-3-4-6-16(14)19(24)22-9-11-23(12-10-22)20-21-17-8-7-15(28(2,25)26)13-18(17)27-20/h3-8,13H,9-12H2,1-2H3