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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)C(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)C(C)C)C

InChI

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