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

Systemtic Name: [3-[[(3-bromophenyl)carbamoyl-butan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(3-bromophenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(3-bromoanilino)-oxomethyl]-butan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(3-bromophenyl)carbamoyl-butan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(3-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(=CC=C1)OS(=O)(=O)CC)C(=O)NC2=CC(=CC=C2)Br

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)NC2=CC(=CC=C2)Br

InChI

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