N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methoxy-5-sulfamoyl-benzamide hydrate

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methoxy-5-sulfamoyl-benzamide hydrate Openeye Name: 2-methoxy-N-quinuclidin-4-yl-5-sulfamoyl-benzamide hydrate CAS Name: N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methoxy-5-sulfamoylbenzamide hydrate IUPAC Name: N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methoxy-5-sulfamoylbenzamide hydrate Traditional Name: 2-methoxy-N-quinuclidin-4-yl-5-sulfamoyl-benzamide hydrate Formula: C30H44N6O9S2 MolecularWeight: 696.83516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NC23CCN(CC2)CC3.COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NC23CCN(CC2)CC3.O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NC23CCN(CC2)CC3.COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NC23CCN(CC2)CC3.O

InChI

InChI=1S/2C15H21N3O4S.H2O/c2*1-22-13-3-2-11(23(16,20)21)10-12(13)14(19)17-15-4-7-18(8-5-15)9-6-15;/h2*2-3,10H,4-9H2,1H3,(H,17,19)(H2,16,20,21);1H2