3-[3-[[(4-tert-butylphenyl)methyl-(phenylsulfonyl)amino]methyl]phenyl]propanoic acid

Systemtic Name: 3-[3-[[(4-tert-butylphenyl)methyl-(phenylsulfonyl)amino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[benzenesulfonyl-[(4-tert-butylphenyl)methyl]amino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[benzenesulfonyl-[(4-tert-butylphenyl)methyl]amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[benzenesulfonyl-[(4-tert-butylphenyl)methyl]amino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[besyl-(4-tert-butylbenzyl)amino]methyl]phenyl]propionic acid Formula: C27H31NO4S MolecularWeight: 465.60434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CCC(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CCC(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H31NO4S/c1-27(2,3)24-15-12-22(13-16-24)19-28(33(31,32)25-10-5-4-6-11-25)20-23-9-7-8-21(18-23)14-17-26(29)30/h4-13,15-16,18H,14,17,19-20H2,1-3H3,(H,29,30)