[5-[[(4-ethoxyphenyl)carbamoyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[(4-ethoxyphenyl)carbamoyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(4-ethoxyphenyl)carbamoyl-isopropyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(4-ethoxyanilino)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-ethoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[isopropyl(p-phenetylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)C(C)C

InChI

InChI=1S/C21H28N2O6S/c1-6-28-18-10-8-17(9-11-18)22-21(24)23(15(2)3)14-16-7-12-19(27-4)20(13-16)29-30(5,25)26/h7-13,15H,6,14H2,1-5H3,(H,22,24)