1,3-benzothiazol-2-ylmethyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-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)C(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCCC4

InChI

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