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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-2-methoxy-5-sulfamoyl-benzamide hydrate Openeye Name: 2-methoxy-N-(quinuclidin-2-ylmethyl)-5-sulfamoyl-benzamide hydrate CAS Name: N-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide hydrate IUPAC Name: N-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide hydrate Traditional Name: 2-methoxy-N-(quinuclidin-2-ylmethyl)-5-sulfamoyl-benzamide hydrate Formula: C16H25N3O5S MolecularWeight: 371.4518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCC2CC3CCN2CC3.O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCC2CC3CCN2CC3.O

InChI

InChI=1S/C16H23N3O4S.H2O/c1-23-15-3-2-13(24(17,21)22)9-14(15)16(20)18-10-12-8-11-4-6-19(12)7-5-11;/h2-3,9,11-12H,4-8,10H2,1H3,(H,18,20)(H2,17,21,22);1H2