[5-[[butan-2-yl-[(3-ethylphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[butan-2-yl-[(3-ethylphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(3-ethylphenyl)carbamoyl-sec-butyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl-[(3-ethylanilino)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-[(3-ethylphenyl)carbamoyl]amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(3-ethylphenyl)carbamoyl-sec-butyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)CC)C(C)CC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)CC)C(C)CC

InChI

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