N-(1,2-diazabicyclo[3.2.2]nonan-2-yl)-2-methoxy-5-sulfamoyl-benzamide hydrate

Systemtic Name: N-(1,2-diazabicyclo[3.2.2]nonan-2-yl)-2-methoxy-5-sulfamoyl-benzamide hydrate Openeye Name: N-(1,2-diazabicyclo[3.2.2]nonan-2-yl)-2-methoxy-5-sulfamoyl-benzamide hydrate CAS Name: N-(1,2-diazabicyclo[3.2.2]nonan-2-yl)-2-methoxy-5-sulfamoylbenzamide hydrate IUPAC Name: N-(1,2-diazabicyclo[3.2.2]nonan-2-yl)-2-methoxy-5-sulfamoylbenzamide hydrate Traditional Name: N-(1,2-diazabicyclo[3.2.2]nonan-2-yl)-2-methoxy-5-sulfamoyl-benzamide hydrate Formula: C30H46N8O9S2 MolecularWeight: 726.86444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NN2CCC3CCN2CC3.COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NN2CCC3CCN2CC3.O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NN2CCC3CCN2CC3.COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NN2CCC3CCN2CC3.O

InChI

InChI=1S/2C15H22N4O4S.H2O/c2*1-23-14-3-2-12(24(16,21)22)10-13(14)15(20)17-19-9-6-11-4-7-18(19)8-5-11;/h2*2-3,10-11H,4-9H2,1H3,(H,17,20)(H2,16,21,22);1H2