dimethyl 5-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]benzene-1,3-dicarboxylate CAS Name: 5-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate Traditional Name: 5-[(2S)-2-(1,3-benzothiazol-2-yl)piperidino]sulfonylbenzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H22N2O6S2 MolecularWeight: 474.54988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCCCC2C3=NC4=CC=CC=C4S3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCCC[C@H]2C3=NC4=CC=CC=C4S3)C(=O)OC

InChI

InChI=1S/C22H22N2O6S2/c1-29-21(25)14-11-15(22(26)30-2)13-16(12-14)32(27,28)24-10-6-5-8-18(24)20-23-17-7-3-4-9-19(17)31-20/h3-4,7,9,11-13,18H,5-6,8,10H2,1-2H3/t18-/m0/s1