[4-[[(4-ethylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(4-ethylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-ethylbenzoyl)-isopropyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-ethylphenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(4-ethylbenzoyl)-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-ethylbenzoyl)-isopropyl-amino]methyl]phenyl] ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)C(C)C

InChI

InChI=1S/C20H25NO4S/c1-5-16-6-10-18(11-7-16)20(22)21(15(2)3)14-17-8-12-19(13-9-17)25-26(4,23)24/h6-13,15H,5,14H2,1-4H3