[5-[[(3-ethylphenyl)carbamoyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[(3-ethylphenyl)carbamoyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(3-ethylphenyl)carbamoyl-isopropyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(3-ethylanilino)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(3-ethylphenyl)carbamoyl-propan-2-ylamino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(3-ethylphenyl)carbamoyl-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-6-16-8-7-9-18(12-16)22-21(24)23(15(2)3)14-17-10-11-19(27-4)20(13-17)28-29(5,25)26/h7-13,15H,6,14H2,1-5H3,(H,22,24)