[4-(phenylmethoxycarbonylamino)cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(phenylmethoxycarbonylamino)cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [4-(benzyloxycarbonylamino)cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(phenylmethoxycarbonylamino)cyclohexyl] ester IUPAC Name: [4-(phenylmethoxycarbonylamino)cyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(benzyloxycarbonylamino)cyclohexyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC(CC2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC(CC2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H25NO5S/c1-16-7-13-20(14-8-16)28(24,25)27-19-11-9-18(10-12-19)22-21(23)26-15-17-5-3-2-4-6-17/h2-8,13-14,18-19H,9-12,15H2,1H3,(H,22,23)