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

Systemtic Name: (2-methylphenyl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: [4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(o-tolyl)methanone CAS Name: (2-methylphenyl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (2-methylphenyl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: [4-(4-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=CC=C4S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

InChI

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