4-[(2-methyl-2-oxidanyl-4-phenyl-but-3-ynyl)amino]benzenesulfonic acid

Systemtic Name: 4-[(2-methyl-2-oxidanyl-4-phenyl-but-3-ynyl)amino]benzenesulfonic acid Openeye Name: 4-[(2-hydroxy-2-methyl-4-phenyl-but-3-ynyl)amino]benzenesulfonic acid CAS Name: 4-[(2-hydroxy-2-methyl-4-phenylbut-3-ynyl)amino]benzenesulfonic acid IUPAC Name: 4-[(2-hydroxy-2-methyl-4-phenylbut-3-ynyl)amino]benzenesulfonic acid Traditional Name: 4-[(2-hydroxy-2-methyl-4-phenyl-but-3-ynyl)amino]besylic acid Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=CC=C(C=C1)S(=O)(=O)O)(C#CC2=CC=CC=C2)O

Isomeric SMILES

CC(CNC1=CC=C(C=C1)S(=O)(=O)O)(C#CC2=CC=CC=C2)O

InChI

InChI=1S/C17H17NO4S/c1-17(19,12-11-14-5-3-2-4-6-14)13-18-15-7-9-16(10-8-15)23(20,21)22/h2-10,18-19H,13H2,1H3,(H,20,21,22)