3-[(4-butoxycarbonylphenyl)sulfamoyl]-4-chloranyl-benzoic acid

Systemtic Name: 3-[(4-butoxycarbonylphenyl)sulfamoyl]-4-chloranyl-benzoic acid Openeye Name: 3-[(4-butoxycarbonylphenyl)sulfamoyl]-4-chloro-benzoic acid CAS Name: 3-[[4-[butoxy(oxo)methyl]phenyl]sulfamoyl]-4-chlorobenzoic acid IUPAC Name: 3-[(4-butoxycarbonylphenyl)sulfamoyl]-4-chlorobenzoic acid Traditional Name: 3-[(4-butoxycarbonylphenyl)sulfamoyl]-4-chloro-benzoic acid Formula: C18H18ClNO6S MolecularWeight: 411.85662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C18H18ClNO6S/c1-2-3-10-26-18(23)12-4-7-14(8-5-12)20-27(24,25)16-11-13(17(21)22)6-9-15(16)19/h4-9,11,20H,2-3,10H2,1H3,(H,21,22)