1,3-benzothiazol-2-ylmethyl 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-methoxy-3-[[(2R)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-methoxy-3-[[(2R)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-methoxy-3-[(2R)-2-methylpiperidino]sulfonyl-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

C[C@@H]1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C22H24N2O5S2/c1-15-7-5-6-12-24(15)31(26,27)20-13-16(10-11-18(20)28-2)22(25)29-14-21-23-17-8-3-4-9-19(17)30-21/h3-4,8-11,13,15H,5-7,12,14H2,1-2H3/t15-/m1/s1