[4-[[butan-2-yl-[(3,5-dimethoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[butan-2-yl-[(3,5-dimethoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(3,5-dimethoxyphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butan-2-yl-[(3,5-dimethoxyanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl-[(3,5-dimethoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(3,5-dimethoxyphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] ester Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2=CC(=CC(=C2)OC)OC

InChI

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