4-methylbenzenesulfonic acid; 1-[4-[(4-methylphenyl)sulfamoylamino]phenyl]-2-(propan-2-ylamino)ethanol

Systemtic Name: 4-methylbenzenesulfonic acid; 1-[4-[(4-methylphenyl)sulfamoylamino]phenyl]-2-(propan-2-ylamino)ethanol Openeye Name: 2-(isopropylamino)-1-[4-(p-tolylsulfamoylamino)phenyl]ethanol; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 1-[4-[(4-methylphenyl)sulfamoylamino]phenyl]-2-(propan-2-ylamino)ethanol IUPAC Name: 4-methylbenzenesulfonic acid; 1-[4-[(4-methylphenyl)sulfamoylamino]phenyl]-2-(propan-2-ylamino)ethanol Traditional Name: 2-(isopropylamino)-1-[4-(p-tolylsulfamoylamino)phenyl]ethanol; tosylic acid Formula: C25H33N3O6S2 MolecularWeight: 535.67602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)NC2=CC=C(C=C2)C(CNC(C)C)O.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)NC2=CC=C(C=C2)C(CNC(C)C)O.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C18H25N3O3S.C7H8O3S/c1-13(2)19-12-18(22)15-6-10-17(11-7-15)21-25(23,24)20-16-8-4-14(3)5-9-16;1-6-2-4-7(5-3-6)11(8,9)10/h4-11,13,18-22H,12H2,1-3H3;2-5H,1H3,(H,8,9,10)