[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone

Systemtic Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone Openeye Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-isopropylsulfonylphenyl)methanone CAS Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(4-propan-2-ylsulfonylphenyl)methanone IUPAC Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone Traditional Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazino]-(4-isopropylsulfonylphenyl)methanone Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)C(C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)C(C)C)C

InChI

InChI=1S/C23H27N3O3S2/c1-15(2)31(28,29)19-7-5-18(6-8-19)22(27)25-9-11-26(12-10-25)23-24-21-17(4)13-16(3)14-20(21)30-23/h5-8,13-15H,9-12H2,1-4H3