7-[methylsulfonyl-[[4-(phenylmethyl)phenyl]methyl]amino]heptanoic acid

Systemtic Name: 7-[methylsulfonyl-[[4-(phenylmethyl)phenyl]methyl]amino]heptanoic acid Openeye Name: 7-[(4-benzylphenyl)methyl-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[methylsulfonyl-[[4-(phenylmethyl)phenyl]methyl]amino]heptanoic acid IUPAC Name: 7-[(4-benzylphenyl)methyl-methylsulfonylamino]heptanoic acid Traditional Name: 7-[(4-benzylbenzyl)-mesyl-amino]enanthic acid Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCCCCC(=O)O)CC1=CC=C(C=C1)CC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N(CCCCCCC(=O)O)CC1=CC=C(C=C1)CC2=CC=CC=C2

InChI

InChI=1S/C22H29NO4S/c1-28(26,27)23(16-8-3-2-7-11-22(24)25)18-21-14-12-20(13-15-21)17-19-9-5-4-6-10-19/h4-6,9-10,12-15H,2-3,7-8,11,16-18H2,1H3,(H,24,25)