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

Systemtic Name: [4-[[(2-bromophenyl)carbamoyl-butan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(2-bromophenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(2-bromoanilino)-oxomethyl]-butan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(2-bromophenyl)carbamoyl-butan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(2-bromophenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] ester Formula: C20H25BrN2O4S MolecularWeight: 469.3925

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(=O)NC2=CC=CC=C2Br

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(=O)NC2=CC=CC=C2Br

InChI

InChI=1S/C20H25BrN2O4S/c1-4-15(3)23(20(24)22-19-9-7-6-8-18(19)21)14-16-10-12-17(13-11-16)27-28(25,26)5-2/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)