[3-[[(3,4-dichlorophenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(3,4-dichlorophenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(3,4-dichlorophenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(3,4-dichloroanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(3,4-dichlorophenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(3,4-dichlorophenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ester Formula: C19H22Cl2N2O4S MolecularWeight: 445.35998

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)NC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C19H22Cl2N2O4S/c1-4-28(25,26)27-16-7-5-6-14(10-16)12-23(13(2)3)19(24)22-15-8-9-17(20)18(21)11-15/h5-11,13H,4,12H2,1-3H3,(H,22,24)