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

Systemtic Name: 2-[[2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]-4-(methylsulfonylamino)phenyl]methyl]benzoic acid Openeye Name: 2-[[4-(methanesulfonamido)-2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]phenyl]methyl]benzoic acid CAS Name: 2-[[4-(methanesulfonamido)-2-[[4-methyl-2-(1-naphthalenyl)-1-oxopentyl]amino]phenyl]methyl]benzoic acid IUPAC Name: 2-[[4-(methanesulfonamido)-2-[(4-methyl-2-naphthalen-1-ylpentanoyl)amino]phenyl]methyl]benzoic acid Traditional Name: 2-[4-(methanesulfonamido)-2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]benzyl]benzoic acid Formula: C31H32N2O5S MolecularWeight: 544.66118

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

InChI

InChI=1S/C31H32N2O5S/c1-20(2)17-28(27-14-8-11-21-9-4-6-12-25(21)27)30(34)32-29-19-24(33-39(3,37)38)16-15-23(29)18-22-10-5-7-13-26(22)31(35)36/h4-16,19-20,28,33H,17-18H2,1-3H3,(H,32,34)(H,35,36)