[5-[[(4-ethylphenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[(4-ethylphenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(4-ethylbenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(4-ethylphenyl)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-ethylbenzoyl)-propan-2-ylamino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(4-ethylbenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5S/c1-6-16-7-10-18(11-8-16)21(23)22(15(2)3)14-17-9-12-19(26-4)20(13-17)27-28(5,24)25/h7-13,15H,6,14H2,1-5H3