4-[(4-bromophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]butanoate

Systemtic Name: 4-[(4-bromophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]butanoate Openeye Name: 4-[(4-bromophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]butanoate CAS Name: 4-[(4-bromophenyl)methyl-(4-nitrophenyl)sulfonylamino]butanoate IUPAC Name: 4-[(4-bromophenyl)methyl-(4-nitrophenyl)sulfonylamino]butanoate Traditional Name: 4-[(4-bromobenzyl)-nosyl-amino]butyrate Formula: C17H16BrN2O6S- MolecularWeight: 456.28774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CCCC(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1CN(CCCC(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C17H17BrN2O6S/c18-14-5-3-13(4-6-14)12-19(11-1-2-17(21)22)27(25,26)16-9-7-15(8-10-16)20(23)24/h3-10H,1-2,11-12H2,(H,21,22)/p-1