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

Systemtic Name: [4-[[(2-bromophenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(2-bromophenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(2-bromoanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(2-bromophenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(2-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=C(C=C1)CN(C(C)C)C(=O)NC2=CC=CC=C2Br

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C(C)C)C(=O)NC2=CC=CC=C2Br

InChI

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