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

Systemtic Name: [1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [1-(1,3-benzothiazol-2-yl)-4-piperidyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(1,3-benzothiazol-2-yl)-4-piperidinyl]methyl ester IUPAC Name: [1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(1,3-benzothiazol-2-yl)-4-piperidyl]methyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N2O3S2/c1-15-6-8-17(9-7-15)27(23,24)25-14-16-10-12-22(13-11-16)20-21-18-4-2-3-5-19(18)26-20/h2-9,16H,10-14H2,1H3