calcium 2-[(Z)-N-ethoxy-C-ethyl-carbonimidoyl]-5-[4-(methylsulfonylamino)phenyl]-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: calcium 2-[(Z)-N-ethoxy-C-ethyl-carbonimidoyl]-5-[4-(methylsulfonylamino)phenyl]-3-oxidanylidene-cyclohexen-1-olate Openeye Name: calcium 2-[(Z)-N-ethoxy-C-ethyl-carbonimidoyl]-5-[4-(methanesulfonamido)phenyl]-3-oxo-cyclohexen-1-olate CAS Name: calcium 2-[(1Z)-1-ethoxyiminopropyl]-5-[4-(methanesulfonamido)phenyl]-3-oxo-1-cyclohexenolate IUPAC Name: calcium 2-[(Z)-N-ethoxy-C-ethylcarbonimidoyl]-5-[4-(methanesulfonamido)phenyl]-3-oxocyclohexen-1-olate Traditional Name: calcium 2-[(Z)-N-ethoxy-C-ethyl-carbonimidoyl]-3-keto-5-[4-(methanesulfonamido)phenyl]cyclohexen-1-olate Formula: C18H23CaN2O5S+ MolecularWeight: 419.52862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NOCC)C1=C(CC(CC1=O)C2=CC=C(C=C2)NS(=O)(=O)C)[O-].[Ca+2]

Isomeric SMILES

CC/C(=N/OCC)/C1=C(CC(CC1=O)C2=CC=C(C=C2)NS(=O)(=O)C)[O-].[Ca+2]

InChI

InChI=1S/C18H24N2O5S.Ca/c1-4-15(19-25-5-2)18-16(21)10-13(11-17(18)22)12-6-8-14(9-7-12)20-26(3,23)24;/h6-9,13,20-21H,4-5,10-11H2,1-3H3;/q;+2/p-1/b19-15-;