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

Systemtic Name: 2-[[2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]-4-methylsulfonyloxy-phenyl]methyl]benzoic acid Openeye Name: 2-[[2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]-4-methylsulfonyloxy-phenyl]methyl]benzoic acid CAS Name: 2-[[2-[[4-methyl-2-(1-naphthalenyl)-1-oxopentyl]amino]-4-methylsulfonyloxyphenyl]methyl]benzoic acid IUPAC Name: 2-[[2-[(4-methyl-2-naphthalen-1-ylpentanoyl)amino]-4-methylsulfonyloxyphenyl]methyl]benzoic acid Traditional Name: 2-[2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]-4-methylsulfonyloxy-benzyl]benzoic acid Formula: C31H31NO6S MolecularWeight: 545.64594

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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)OS(=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)OS(=O)(=O)C)CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C31H31NO6S/c1-20(2)17-28(27-14-8-11-21-9-4-6-12-25(21)27)30(33)32-29-19-24(38-39(3,36)37)16-15-23(29)18-22-10-5-7-13-26(22)31(34)35/h4-16,19-20,28H,17-18H2,1-3H3,(H,32,33)(H,34,35)