4-azanyl-2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoyl]benzenesulfonic acid

Systemtic Name: 4-azanyl-2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoyl]benzenesulfonic acid Openeye Name: 4-amino-2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyl]benzenesulfonic acid CAS Name: 4-amino-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropyl]benzenesulfonic acid IUPAC Name: 4-amino-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]benzenesulfonic acid Traditional Name: 4-amino-2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyl]besylic acid Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)C2=C(C=CC(=C2)N)S(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)C2=C(C=CC(=C2)N)S(=O)(=O)O

InChI

InChI=1S/C23H31NO5S/c1-22(2,3)17-11-14(12-18(21(17)26)23(4,5)6)7-9-19(25)16-13-15(24)8-10-20(16)30(27,28)29/h8,10-13,26H,7,9,24H2,1-6H3,(H,27,28,29)