[3-[[butan-2-yl-(3,4-dichlorophenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[butan-2-yl-(3,4-dichlorophenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(3,4-dichlorobenzoyl)-sec-butyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[butan-2-yl-[(3,4-dichlorophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(3,4-dichlorobenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(3,4-dichlorobenzoyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C20H23Cl2NO4S MolecularWeight: 444.37192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23Cl2NO4S/c1-4-14(3)23(20(24)16-9-10-18(21)19(22)12-16)13-15-7-6-8-17(11-15)27-28(25,26)5-2/h6-12,14H,4-5,13H2,1-3H3