phenyl 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]ethanesulfonate CAS Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanesulfonate Traditional Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]ethanesulfonic acid phenyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCS(=O)(=O)OC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@H](CN(C1)CCS(=O)(=O)OC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N2O3S2/c23-27(24,25-17-8-2-1-3-9-17)14-13-22-12-6-7-16(15-22)20-21-18-10-4-5-11-19(18)26-20/h1-5,8-11,16H,6-7,12-15H2/t16-/m1/s1