[4-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone

Systemtic Name: [4-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone Openeye Name: [4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone CAS Name: [4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3-methylsulfonylphenyl)methanone IUPAC Name: [4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone Traditional Name: [4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazino]-(3-mesylphenyl)methanone Formula: C20H20ClN3O4S2 MolecularWeight: 465.9735

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)C

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C20H20ClN3O4S2/c1-28-16-7-6-15(21)18-17(16)22-20(29-18)24-10-8-23(9-11-24)19(25)13-4-3-5-14(12-13)30(2,26)27/h3-7,12H,8-11H2,1-2H3