benzenesulfonic acid; [3-tert-butyl-5-[[2-hydroxyethyl(methyl)amino]methyl]-4-oxidanyl-phenyl]-thiophen-2-yl-methanone

Systemtic Name: benzenesulfonic acid; [3-tert-butyl-5-[[2-hydroxyethyl(methyl)amino]methyl]-4-oxidanyl-phenyl]-thiophen-2-yl-methanone Openeye Name: benzenesulfonic acid; [3-tert-butyl-4-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]-(2-thienyl)methanone CAS Name: benzenesulfonic acid; [3-tert-butyl-4-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]-thiophen-2-ylmethanone IUPAC Name: benzenesulfonic acid; [3-tert-butyl-4-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]-thiophen-2-ylmethanone Traditional Name: besylic acid; [3-tert-butyl-4-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]-(2-thienyl)methanone Formula: C25H31NO6S2 MolecularWeight: 505.64674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)CN(C)CCO)C(=O)C2=CC=CS2.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)CN(C)CCO)C(=O)C2=CC=CS2.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C19H25NO3S.C6H6O3S/c1-19(2,3)15-11-13(18(23)16-6-5-9-24-16)10-14(17(15)22)12-20(4)7-8-21;7-10(8,9)6-4-2-1-3-5-6/h5-6,9-11,21-22H,7-8,12H2,1-4H3;1-5H,(H,7,8,9)