2-[[2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]-4-(methylsulfonylmethyl)phenyl]methyl]benzoic acid

Systemtic Name: 2-[[2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]-4-(methylsulfonylmethyl)phenyl]methyl]benzoic acid Openeye Name: 2-[[2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]-4-(methylsulfonylmethyl)phenyl]methyl]benzoic acid CAS Name: 2-[[2-[[4-methyl-2-(1-naphthalenyl)-1-oxopentyl]amino]-4-(methylsulfonylmethyl)phenyl]methyl]benzoic acid IUPAC Name: 2-[[2-[(4-methyl-2-naphthalen-1-ylpentanoyl)amino]-4-(methylsulfonylmethyl)phenyl]methyl]benzoic acid Traditional Name: 2-[4-(mesylmethyl)-2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]benzyl]benzoic acid Formula: C32H33NO5S MolecularWeight: 543.67312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)CS(=O)(=O)C)CC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)CS(=O)(=O)C)CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C32H33NO5S/c1-21(2)17-29(28-14-8-11-23-9-4-6-12-26(23)28)31(34)33-30-18-22(20-39(3,37)38)15-16-25(30)19-24-10-5-7-13-27(24)32(35)36/h4-16,18,21,29H,17,19-20H2,1-3H3,(H,33,34)(H,35,36)