barium(2+); 4-[(4-sulfamoylphenyl)amino]butanoate

Systemtic Name: barium(2+); 4-[(4-sulfamoylphenyl)amino]butanoate Openeye Name: barium(2+); 4-(4-sulfamoylanilino)butanoate CAS Name: barium(2+); 4-(4-sulfamoylanilino)butanoate IUPAC Name: barium(2+); 4-(4-sulfamoylanilino)butanoate Traditional Name: barium(2+); 4-(4-sulfamoylanilino)butyrate Formula: C20H26BaN4O8S2 MolecularWeight: 651.89944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCCC(=O)[O-])S(=O)(=O)N.C1=CC(=CC=C1NCCCC(=O)[O-])S(=O)(=O)N.[Ba+2]

Isomeric SMILES

C1=CC(=CC=C1NCCCC(=O)[O-])S(=O)(=O)N.C1=CC(=CC=C1NCCCC(=O)[O-])S(=O)(=O)N.[Ba+2]

InChI

InChI=1S/2C10H14N2O4S.Ba/c2*11-17(15,16)9-5-3-8(4-6-9)12-7-1-2-10(13)14;/h2*3-6,12H,1-2,7H2,(H,13,14)(H2,11,15,16);/q;;+2/p-2