[3-[[butan-2-yl-[(4-ethoxyphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[butan-2-yl-[(4-ethoxyphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-ethoxyphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[butan-2-yl-[(4-ethoxyanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-[(4-ethoxyphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[p-phenetylcarbamoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)NC2=CC=C(C=C2)OCC

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)NC2=CC=C(C=C2)OCC

InChI

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