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

Systemtic Name: [4-[[butan-2-yl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(2-ethoxyphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[butan-2-yl-[(2-ethoxyanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[o-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=C(C=C1)OS(=O)(=O)CC)C(=O)NC2=CC=CC=C2OCC

Isomeric SMILES

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

InChI

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