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

Systemtic Name: [5-[[butan-2-yl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(2-ethoxyphenyl)carbamoyl-sec-butyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl-[(2-ethoxyanilino)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-methoxy-5-[[o-phenetylcarbamoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C23H32N2O6S MolecularWeight: 464.57498

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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=CC=CC=C2OCC

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)NC2=CC=CC=C2OCC

InChI

InChI=1S/C23H32N2O6S/c1-6-17(4)25(23(26)24-19-11-9-10-12-20(19)30-7-2)16-18-13-14-21(29-5)22(15-18)31-32(27,28)8-3/h9-15,17H,6-8,16H2,1-5H3,(H,24,26)