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

Systemtic Name: 4-[(4-tert-butylphenyl)methyl-(phenylsulfonyl)amino]-3-phenyl-butanoic acid Openeye Name: 4-[benzenesulfonyl-[(4-tert-butylphenyl)methyl]amino]-3-phenyl-butanoic acid CAS Name: 4-[benzenesulfonyl-[(4-tert-butylphenyl)methyl]amino]-3-phenylbutanoic acid IUPAC Name: 4-[benzenesulfonyl-[(4-tert-butylphenyl)methyl]amino]-3-phenylbutanoic acid Traditional Name: 4-[besyl-(4-tert-butylbenzyl)amino]-3-phenyl-butyric 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(CC(CC(=O)O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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