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

Systemtic Name: [2-[3-[di(propan-2-yl)amino]-1-phenyl-propyl]-4-methyl-phenyl] ethanesulfonate Openeye Name: [2-[3-(diisopropylamino)-1-phenyl-propyl]-4-methyl-phenyl] ethanesulfonate CAS Name: ethanesulfonic 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] ethanesulfonate Traditional Name: ethanesulfonic acid [2-[3-(diisopropylamino)-1-phenyl-propyl]-4-methyl-phenyl] ester Formula: C24H35NO3S MolecularWeight: 417.6046

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=C(C=C1)C)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=C(C=C1)C)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2

InChI

InChI=1S/C24H35NO3S/c1-7-29(26,27)28-24-14-13-20(6)17-23(24)22(21-11-9-8-10-12-21)15-16-25(18(2)3)19(4)5/h8-14,17-19,22H,7,15-16H2,1-6H3