3-[[(phenylmethyl)-quinolin-8-ylsulfonyl-amino]methyl]benzoic acid

Systemtic Name: 3-[[(phenylmethyl)-quinolin-8-ylsulfonyl-amino]methyl]benzoic acid Openeye Name: 3-[[benzyl(8-quinolylsulfonyl)amino]methyl]benzoic acid CAS Name: 3-[[(phenylmethyl)-(8-quinolinylsulfonyl)amino]methyl]benzoic acid IUPAC Name: 3-[[benzyl(quinolin-8-ylsulfonyl)amino]methyl]benzoic acid Traditional Name: 3-[[benzyl(8-quinolylsulfonyl)amino]methyl]benzoic acid Formula: C24H20N2O4S MolecularWeight: 432.4916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C24H20N2O4S/c27-24(28)21-11-4-9-19(15-21)17-26(16-18-7-2-1-3-8-18)31(29,30)22-13-5-10-20-12-6-14-25-23(20)22/h1-15H,16-17H2,(H,27,28)