methyl 3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(1,3-benzothiazol-2-yl)piperazino]sulfonylbenzoic acid methyl ester Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19N3O4S2/c1-26-18(23)14-5-4-6-15(13-14)28(24,25)22-11-9-21(10-12-22)19-20-16-7-2-3-8-17(16)27-19/h2-8,13H,9-12H2,1H3