3-[3-(4-bromophenyl)sulfonylpropanoylamino]propyl-ethyl-(phenylmethyl)azanium

Systemtic Name: 3-[3-(4-bromophenyl)sulfonylpropanoylamino]propyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[3-(4-bromophenyl)sulfonylpropanoylamino]propyl]-ethyl-ammonium CAS Name: 3-[[3-(4-bromophenyl)sulfonyl-1-oxopropyl]amino]propyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[3-(4-bromophenyl)sulfonylpropanoylamino]propyl]-ethylazanium Traditional Name: benzyl-[3-(3-brosylpropanoylamino)propyl]-ethyl-ammonium Formula: C21H28BrN2O3S+ MolecularWeight: 468.42762

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCNC(=O)CCS(=O)(=O)C1=CC=C(C=C1)Br)CC2=CC=CC=C2

Isomeric SMILES

CC[NH+](CCCNC(=O)CCS(=O)(=O)C1=CC=C(C=C1)Br)CC2=CC=CC=C2

InChI

InChI=1S/C21H27BrN2O3S/c1-2-24(17-18-7-4-3-5-8-18)15-6-14-23-21(25)13-16-28(26,27)20-11-9-19(22)10-12-20/h3-5,7-12H,2,6,13-17H2,1H3,(H,23,25)/p+1