2-[2-[(3-chlorophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[(3-chlorophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[N-(benzenesulfonyl)-3-chloro-anilino]acetyl]amino]benzoic acid CAS Name: 2-[[2-[N-(benzenesulfonyl)-3-chloroanilino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[N-(benzenesulfonyl)-3-chloroanilino]acetyl]amino]benzoic acid Traditional Name: 2-[[2-(N-besyl-3-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=CC=C2C(=O)O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)O)C3=CC(=CC=C3)Cl

InChI

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