4-chloranyl-3-[(3-ethoxycarbonyl-2-methyl-1H-1,5-benzodiazepin-4-yl)sulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[(3-ethoxycarbonyl-2-methyl-1H-1,5-benzodiazepin-4-yl)sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[(3-ethoxycarbonyl-2-methyl-1H-1,5-benzodiazepin-4-yl)sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[(3-ethoxycarbonyl-2-methyl-1H-1,5-benzodiazepin-4-yl)sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[(3-ethoxycarbonyl-2-methyl-1H-1,5-benzodiazepin-4-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(3-carbethoxy-2-methyl-1H-1,5-benzodiazepin-4-yl)sulfamoyl]-4-chloro-benzoic acid Formula: C20H18ClN3O6S MolecularWeight: 463.89142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl)C

InChI

InChI=1S/C20H18ClN3O6S/c1-3-30-20(27)17-11(2)22-14-6-4-5-7-15(14)23-18(17)24-31(28,29)16-10-12(19(25)26)8-9-13(16)21/h4-10,22H,3H2,1-2H3,(H,23,24)(H,25,26)