4-[2-[(4-chlorophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[(4-chlorophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[N-(benzenesulfonyl)-4-chloro-anilino]acetyl]amino]benzoic acid CAS Name: 4-[[2-[N-(benzenesulfonyl)-4-chloroanilino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[N-(benzenesulfonyl)-4-chloroanilino]acetyl]amino]benzoic acid Traditional Name: 4-[[2-(N-besyl-4-chloro-anilino)acetyl]amino]benzoic acid Formula: C21H17ClN2O5S MolecularWeight: 444.88808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H17ClN2O5S/c22-16-8-12-18(13-9-16)24(30(28,29)19-4-2-1-3-5-19)14-20(25)23-17-10-6-15(7-11-17)21(26)27/h1-13H,14H2,(H,23,25)(H,26,27)