3-methyl-4-[2-[methyl(naphthalen-2-ylsulfonyl)amino]ethanoylamino]benzoic acid

Systemtic Name: 3-methyl-4-[2-[methyl(naphthalen-2-ylsulfonyl)amino]ethanoylamino]benzoic acid Openeye Name: 3-methyl-4-[[2-[methyl(2-naphthylsulfonyl)amino]acetyl]amino]benzoic acid CAS Name: 3-methyl-4-[[2-[methyl(2-naphthalenylsulfonyl)amino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[2-[methyl(2-naphthylsulfonyl)amino]acetyl]amino]benzoic acid Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CN(C)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CN(C)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H20N2O5S/c1-14-11-17(21(25)26)8-10-19(14)22-20(24)13-23(2)29(27,28)18-9-7-15-5-3-4-6-16(15)12-18/h3-12H,13H2,1-2H3,(H,22,24)(H,25,26)