(3-methylsulfonylphenyl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (3-methylsulfonylphenyl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: [4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone CAS Name: (3-methylsulfonylphenyl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (3-methylsulfonylphenyl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: [4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazino]-(3-mesylphenyl)methanone Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S2/c1-15(2)18-8-5-9-19-20(18)23-22(29-19)25-12-10-24(11-13-25)21(26)16-6-4-7-17(14-16)30(3,27)28/h4-9,14-15H,10-13H2,1-3H3