[6-oxidanylidene-2-[(phenylmethyl)amino]cyclohexen-1-yl] methanesulfonate

Systemtic Name: [6-oxidanylidene-2-[(phenylmethyl)amino]cyclohexen-1-yl] methanesulfonate Openeye Name: [2-(benzylamino)-6-oxo-cyclohexen-1-yl] methanesulfonate CAS Name: methanesulfonic acid [6-oxo-2-[(phenylmethyl)amino]-1-cyclohexenyl] ester IUPAC Name: [2-(benzylamino)-6-oxocyclohexen-1-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-(benzylamino)-6-keto-cyclohexen-1-yl] ester Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(CCCC1=O)NCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)OC1=C(CCCC1=O)NCC2=CC=CC=C2

InChI

InChI=1S/C14H17NO4S/c1-20(17,18)19-14-12(8-5-9-13(14)16)15-10-11-6-3-2-4-7-11/h2-4,6-7,15H,5,8-10H2,1H3