[3-[[2-methoxyethyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[2-methoxyethyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(4-isopropylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-methoxyethyl-[oxo-(4-propan-2-ylanilino)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[2-methoxyethyl(p-cumenylcarbamoyl)amino]methyl]phenyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-16(2)18-8-10-19(11-9-18)22-21(24)23(12-13-27-3)15-17-6-5-7-20(14-17)28-29(4,25)26/h5-11,14,16H,12-13,15H2,1-4H3,(H,22,24)