5-[butyl(phenyl)sulfamoyl]-4-chloranyl-2-(1-phenylbutylamino)benzoic acid

Systemtic Name: 5-[butyl(phenyl)sulfamoyl]-4-chloranyl-2-(1-phenylbutylamino)benzoic acid Openeye Name: 5-[butyl(phenyl)sulfamoyl]-4-chloro-2-(1-phenylbutylamino)benzoic acid CAS Name: 5-[butyl(phenyl)sulfamoyl]-4-chloro-2-(1-phenylbutylamino)benzoic acid IUPAC Name: 5-[butyl(phenyl)sulfamoyl]-4-chloro-2-(1-phenylbutylamino)benzoic acid Traditional Name: 5-[butyl(phenyl)sulfamoyl]-4-chloro-2-(1-phenylbutylamino)benzoic acid Formula: C27H31ClN2O4S MolecularWeight: 515.06404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)NC(CCC)C3=CC=CC=C3)Cl

Isomeric SMILES

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)NC(CCC)C3=CC=CC=C3)Cl

InChI

InChI=1S/C27H31ClN2O4S/c1-3-5-17-30(21-15-10-7-11-16-21)35(33,34)26-18-22(27(31)32)25(19-23(26)28)29-24(12-4-2)20-13-8-6-9-14-20/h6-11,13-16,18-19,24,29H,3-5,12,17H2,1-2H3,(H,31,32)