4-phenylazanyl-3-[(phenylmethyl)amino]-5-(phenylsulfamoyl)benzoic acid

Systemtic Name: 4-phenylazanyl-3-[(phenylmethyl)amino]-5-(phenylsulfamoyl)benzoic acid Openeye Name: 4-anilino-3-(benzylamino)-5-(phenylsulfamoyl)benzoic acid CAS Name: 4-anilino-3-[(phenylmethyl)amino]-5-(phenylsulfamoyl)benzoic acid IUPAC Name: 4-anilino-3-(benzylamino)-5-(phenylsulfamoyl)benzoic acid Traditional Name: 4-anilino-3-(benzylamino)-5-(phenylsulfamoyl)benzoic acid Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)NC3=CC=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)NC3=CC=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O4S/c30-26(31)20-16-23(27-18-19-10-4-1-5-11-19)25(28-21-12-6-2-7-13-21)24(17-20)34(32,33)29-22-14-8-3-9-15-22/h1-17,27-29H,18H2,(H,30,31)