[5-[[butan-2-yl-[(2,6-dimethylphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[butan-2-yl-[(2,6-dimethylphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(2,6-dimethylphenyl)carbamoyl-sec-butyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl-[(2,6-dimethylanilino)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-[(2,6-dimethylphenyl)carbamoyl]amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(2,6-dimethylphenyl)carbamoyl-sec-butyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)NC2=C(C=CC=C2C)C

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C23H32N2O5S/c1-7-18(5)25(23(26)24-22-16(3)10-9-11-17(22)4)15-19-12-13-20(29-6)21(14-19)30-31(27,28)8-2/h9-14,18H,7-8,15H2,1-6H3,(H,24,26)