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

Systemtic Name: [5-[[butan-2-yl-[(2,6-dimethylphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(2,6-dimethylphenyl)carbamoyl-sec-butyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic 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] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(2,6-dimethylphenyl)carbamoyl-sec-butyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5S/c1-7-17(4)24(22(25)23-21-15(2)9-8-10-16(21)3)14-18-11-12-19(28-5)20(13-18)29-30(6,26)27/h8-13,17H,7,14H2,1-6H3,(H,23,25)