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

Systemtic Name: [3-[[(4-bromophenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-bromophenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(4-bromoanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-bromophenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-bromophenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ester Formula: C19H23BrN2O4S MolecularWeight: 455.36592

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN2O4S/c1-4-27(24,25)26-18-7-5-6-15(12-18)13-22(14(2)3)19(23)21-17-10-8-16(20)9-11-17/h5-12,14H,4,13H2,1-3H3,(H,21,23)