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

Systemtic Name: 7-[methylsulfonyl-[(4-phenylphenyl)methyl]amino]heptanoic acid Openeye Name: 7-[methylsulfonyl-[(4-phenylphenyl)methyl]amino]heptanoic acid CAS Name: 7-[methylsulfonyl-[(4-phenylphenyl)methyl]amino]heptanoic acid IUPAC Name: 7-[methylsulfonyl-[(4-phenylphenyl)methyl]amino]heptanoic acid Traditional Name: 7-[mesyl-(4-phenylbenzyl)amino]enanthic acid Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4S/c1-27(25,26)22(16-8-3-2-7-11-21(23)24)17-18-12-14-20(15-13-18)19-9-5-4-6-10-19/h4-6,9-10,12-15H,2-3,7-8,11,16-17H2,1H3,(H,23,24)