1,3-benzothiazol-2-ylmethyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O4S2/c1-15-9-10-16(29(25,26)23-11-5-2-6-12-23)13-17(15)21(24)27-14-20-22-18-7-3-4-8-19(18)28-20/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3