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

Systemtic Name: [3-[[(3-bromophenyl)carbonyl-butan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(3-bromobenzoyl)-sec-butyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(3-bromophenyl)-oxomethyl]-butan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(3-bromobenzoyl)-butan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(3-bromobenzoyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C20H24BrNO4S MolecularWeight: 454.37786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrNO4S/c1-4-15(3)22(20(23)17-9-7-10-18(21)13-17)14-16-8-6-11-19(12-16)26-27(24,25)5-2/h6-13,15H,4-5,14H2,1-3H3