[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(5-methylsulfonyl-2-propan-2-yloxy-phenyl)methanone

Systemtic Name: [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(5-methylsulfonyl-2-propan-2-yloxy-phenyl)methanone Openeye Name: [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(2-isopropoxy-5-methylsulfonyl-phenyl)methanone CAS Name: [4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone IUPAC Name: [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone Traditional Name: [4-(1,2-benzothiazol-3-yl)piperazino]-(2-isopropoxy-5-mesyl-phenyl)methanone Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O4S2/c1-15(2)29-19-9-8-16(31(3,27)28)14-18(19)22(26)25-12-10-24(11-13-25)21-17-6-4-5-7-20(17)30-23-21/h4-9,14-15H,10-13H2,1-3H3