1,3-benzothiazol-2-ylmethyl 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(2S)-2-methylpiperidino]sulfonylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S2/c1-15-6-4-5-13-23(15)29(25,26)17-11-9-16(10-12-17)21(24)27-14-20-22-18-7-2-3-8-19(18)28-20/h2-3,7-12,15H,4-6,13-14H2,1H3/t15-/m0/s1