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

Systemtic Name: [4-[[(3-chlorophenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(3-chlorophenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(3-chloroanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(3-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(3-chlorophenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ester Formula: C19H23ClN2O4S MolecularWeight: 410.91492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2O4S/c1-4-27(24,25)26-18-10-8-15(9-11-18)13-22(14(2)3)19(23)21-17-7-5-6-16(20)12-17/h5-12,14H,4,13H2,1-3H3,(H,21,23)