(4-bromanyl-3-carboxy-phenyl)sulfonyl-(4-chlorophenyl)-ethyl-(phenylmethyl)azanium

Systemtic Name: (4-bromanyl-3-carboxy-phenyl)sulfonyl-(4-chlorophenyl)-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-(4-bromo-3-carboxy-phenyl)sulfonyl-(4-chlorophenyl)-ethyl-ammonium CAS Name: (4-bromo-3-carboxyphenyl)sulfonyl-(4-chlorophenyl)-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-(4-bromo-3-carboxyphenyl)sulfonyl-(4-chlorophenyl)-ethylazanium Traditional Name: benzyl-(4-bromo-3-carboxy-phenyl)sulfonyl-(4-chlorophenyl)-ethyl-ammonium Formula: C22H20BrClNO4S+ MolecularWeight: 509.8205

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC1=CC=CC=C1)(C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

Isomeric SMILES

CC[N+](CC1=CC=CC=C1)(C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C22H19BrClNO4S/c1-2-25(15-16-6-4-3-5-7-16,18-10-8-17(24)9-11-18)30(28,29)19-12-13-21(23)20(14-19)22(26)27/h3-14H,2,15H2,1H3/p+1