[2-[3-[di(propan-2-yl)amino]-1-phenyl-propyl]-4-methyl-phenyl] benzenesulfonate

Systemtic Name: [2-[3-[di(propan-2-yl)amino]-1-phenyl-propyl]-4-methyl-phenyl] benzenesulfonate Openeye Name: [2-[3-(diisopropylamino)-1-phenyl-propyl]-4-methyl-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenyl] ester IUPAC Name: [2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[3-(diisopropylamino)-1-phenyl-propyl]-4-methyl-phenyl] ester Formula: C28H35NO3S MolecularWeight: 465.6474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)C(CCN(C(C)C)C(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)C(CCN(C(C)C)C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C28H35NO3S/c1-21(2)29(22(3)4)19-18-26(24-12-8-6-9-13-24)27-20-23(5)16-17-28(27)32-33(30,31)25-14-10-7-11-15-25/h6-17,20-22,26H,18-19H2,1-5H3