2-[[4-[methylsulfonyl-(phenylmethyl)amino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-[methylsulfonyl-(phenylmethyl)amino]phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-[benzyl(methylsulfonyl)amino]benzoyl]amino]benzoic acid CAS Name: 2-[[[4-[methylsulfonyl-(phenylmethyl)amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-[benzyl(methylsulfonyl)amino]benzoyl]amino]benzoic acid Traditional Name: 2-[[4-[benzyl(mesyl)amino]benzoyl]amino]benzoic acid Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H20N2O5S/c1-30(28,29)24(15-16-7-3-2-4-8-16)18-13-11-17(12-14-18)21(25)23-20-10-6-5-9-19(20)22(26)27/h2-14H,15H2,1H3,(H,23,25)(H,26,27)