calcium [(2R)-1-(3-azanidylsulfonyl-4-methoxy-phenyl)propan-2-yl]-[2-(2-ethoxyphenoxy)ethyl]azanide

Systemtic Name: calcium [(2R)-1-(3-azanidylsulfonyl-4-methoxy-phenyl)propan-2-yl]-[2-(2-ethoxyphenoxy)ethyl]azanide Openeye Name: calcium [(1R)-2-(3-azanidylsulfonyl-4-methoxy-phenyl)-1-methyl-ethyl]-[2-(2-ethoxyphenoxy)ethyl]azanide CAS Name: calcium [(2R)-1-(3-azanidylsulfonyl-4-methoxyphenyl)propan-2-yl]-[2-(2-ethoxyphenoxy)ethyl]azanide IUPAC Name: calcium [(2R)-1-(3-azanidylsulfonyl-4-methoxyphenyl)propan-2-yl]-[2-(2-ethoxyphenoxy)ethyl]azanide Traditional Name: calcium [(1R)-2-(3-amidylsulfonyl-4-methoxy-phenyl)-1-methyl-ethyl]-[2-(2-ethoxyphenoxy)ethyl]azanide Formula: C20H26CaN2O5S MolecularWeight: 446.57384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCC[N-]C(C)CC2=CC(=C(C=C2)OC)S(=O)(=O)[NH-].[Ca+2]

Isomeric SMILES

CCOC1=CC=CC=C1OCC[N-][C@H](C)CC2=CC(=C(C=C2)OC)S(=O)(=O)[NH-].[Ca+2]

InChI

InChI=1S/C20H26N2O5S.Ca/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24;/h5-10,14-15H,4,11-13H2,1-3H3,(H-,21,23,24);/q-2;+2/t15-;/m1./s1