[5-[[butan-2-yl-[(2-ethylphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[butan-2-yl-[(2-ethylphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(2-ethylphenyl)carbamoyl-sec-butyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[butan-2-yl-[(2-ethylanilino)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-[(2-ethylphenyl)carbamoyl]amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(2-ethylphenyl)carbamoyl-sec-butyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)C(C)CC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)C(C)CC

InChI

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