[3-[[[2,6-bis(chloranyl)phenyl]carbamoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[[2,6-bis(chloranyl)phenyl]carbamoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(2,6-dichlorophenyl)carbamoyl-isobutyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2,6-dichloroanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2,6-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(2,6-dichlorophenyl)carbamoyl-isobutyl-amino]methyl]phenyl] ester Formula: C20H24Cl2N2O4S MolecularWeight: 459.38656

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)NC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)NC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C20H24Cl2N2O4S/c1-4-29(26,27)28-16-8-5-7-15(11-16)13-24(12-14(2)3)20(25)23-19-17(21)9-6-10-18(19)22/h5-11,14H,4,12-13H2,1-3H3,(H,23,25)