N-[5-[2-[(2-methyl-1-phenyl-propan-2-yl)amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanesulfonamide; 2-oxidanylethanesulfonic acid

Systemtic Name: N-[5-[2-[(2-methyl-1-phenyl-propan-2-yl)amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanesulfonamide; 2-oxidanylethanesulfonic acid Openeye Name: N-[5-[2-[(1,1-dimethyl-2-phenyl-ethyl)amino]-1-hydroxy-ethyl]-2-hydroxy-phenyl]methanesulfonamide; 2-hydroxyethanesulfonic acid CAS Name: 2-hydroxyethanesulfonic acid; N-[2-hydroxy-5-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]phenyl]methanesulfonamide IUPAC Name: 2-hydroxyethanesulfonic acid; N-[2-hydroxy-5-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]phenyl]methanesulfonamide Traditional Name: N-[5-[2-[(1,1-dimethyl-2-phenyl-ethyl)amino]-1-hydroxy-ethyl]-2-hydroxy-phenyl]methanesulfonamide; 2-hydroxyethanesulfonic acid Formula: C21H32N2O8S2 MolecularWeight: 504.61738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)NS(=O)(=O)C)O.C(CS(=O)(=O)O)O

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)NS(=O)(=O)C)O.C(CS(=O)(=O)O)O

InChI

InChI=1S/C19H26N2O4S.C2H6O4S/c1-19(2,12-14-7-5-4-6-8-14)20-13-18(23)15-9-10-17(22)16(11-15)21-26(3,24)25;3-1-2-7(4,5)6/h4-11,18,20-23H,12-13H2,1-3H3;3H,1-2H2,(H,4,5,6)