2-methoxy-5-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]ethanoylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]ethanoylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[2-[methyl(2-naphthylsulfonyl)amino]acetyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[2-[methyl(2-naphthalenylsulfonyl)amino]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[2-[methyl(2-naphthylsulfonyl)amino]acetyl]amino]methyl]benzoic acid Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCC1=CC(=C(C=C1)OC)C(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CN(CC(=O)NCC1=CC(=C(C=C1)OC)C(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H22N2O6S/c1-24(31(28,29)18-9-8-16-5-3-4-6-17(16)12-18)14-21(25)23-13-15-7-10-20(30-2)19(11-15)22(26)27/h3-12H,13-14H2,1-2H3,(H,23,25)(H,26,27)