dialuminum; N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoyl-benzamide; oxygen(2-); hydrate

Systemtic Name: dialuminum; N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoyl-benzamide; oxygen(2-); hydrate Openeye Name: dialuminum; N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoyl-benzamide; oxygen(2-); hydrate CAS Name: dialuminum; N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfamoylbenzamide; oxygen(2-); hydrate IUPAC Name: dialuminum; N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide; oxygen(2-); hydrate Traditional Name: dialuminum; N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoyl-benzamide; oxygen(2-); hydrate Formula: C15H25Al2N3O8S MolecularWeight: 461.402376

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC.O.[O-2].[O-2].[O-2].[Al+3].[Al+3]

Isomeric SMILES

CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC.O.[O-2].[O-2].[O-2].[Al+3].[Al+3]

InChI

InChI=1S/C15H23N3O4S.2Al.H2O.3O/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2;;;;;;/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21);;;1H2;;;/q;2*+3;;3*-2