4-methylbenzenesulfonic acid; 1-(propan-2-ylamino)-3-[4-(2-pyrazol-1-ylethyl)phenoxy]propan-2-ol

Systemtic Name: 4-methylbenzenesulfonic acid; 1-(propan-2-ylamino)-3-[4-(2-pyrazol-1-ylethyl)phenoxy]propan-2-ol Openeye Name: 1-(isopropylamino)-3-[4-(2-pyrazol-1-ylethyl)phenoxy]propan-2-ol; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 1-(propan-2-ylamino)-3-[4-[2-(1-pyrazolyl)ethyl]phenoxy]-2-propanol IUPAC Name: 4-methylbenzenesulfonic acid; 1-(propan-2-ylamino)-3-[4-(2-pyrazol-1-ylethyl)phenoxy]propan-2-ol Traditional Name: 1-(isopropylamino)-3-[4-(2-pyrazol-1-ylethyl)phenoxy]propan-2-ol; tosylic acid Formula: C24H33N3O5S MolecularWeight: 475.60092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)NCC(COC1=CC=C(C=C1)CCN2C=CC=N2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)NCC(COC1=CC=C(C=C1)CCN2C=CC=N2)O

InChI

InChI=1S/C17H25N3O2.C7H8O3S/c1-14(2)18-12-16(21)13-22-17-6-4-15(5-7-17)8-11-20-10-3-9-19-20;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,9-10,14,16,18,21H,8,11-13H2,1-2H3;2-5H,1H3,(H,8,9,10)