3-chloranylsulfonyl-4-phenyl-5-[(phenylmethyl)amino]benzoic acid

Systemtic Name: 3-chloranylsulfonyl-4-phenyl-5-[(phenylmethyl)amino]benzoic acid Openeye Name: 3-(benzylamino)-5-chlorosulfonyl-4-phenyl-benzoic acid CAS Name: 3-chlorosulfonyl-4-phenyl-5-[(phenylmethyl)amino]benzoic acid IUPAC Name: 3-(benzylamino)-5-chlorosulfonyl-4-phenylbenzoic acid Traditional Name: 3-(benzylamino)-5-chlorosulfonyl-4-phenyl-benzoic acid Formula: C20H16ClNO4S MolecularWeight: 401.86334

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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)Cl)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H16ClNO4S/c21-27(25,26)18-12-16(20(23)24)11-17(19(18)15-9-5-2-6-10-15)22-13-14-7-3-1-4-8-14/h1-12,22H,13H2,(H,23,24)