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

Systemtic Name: methyl 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]sulfonylbenzoic acid methyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N2O4S2/c1-26-20(23)14-8-10-16(11-9-14)28(24,25)22-12-4-5-15(13-22)19-21-17-6-2-3-7-18(17)27-19/h2-3,6-11,15H,4-5,12-13H2,1H3/t15-/m0/s1