3-[(3-bromophenyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[(3-bromophenyl)amino]propane-1-sulfonic acid Openeye Name: 3-(3-bromoanilino)propane-1-sulfonic acid CAS Name: 3-(3-bromoanilino)-1-propanesulfonic acid IUPAC Name: 3-(3-bromoanilino)propane-1-sulfonic acid Traditional Name: 3-(3-bromoanilino)propane-1-sulfonic acid Formula: C9H12BrNO3S MolecularWeight: 294.16548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NCCCS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)NCCCS(=O)(=O)O

InChI

InChI=1S/C9H12BrNO3S/c10-8-3-1-4-9(7-8)11-5-2-6-15(12,13)14/h1,3-4,7,11H,2,5-6H2,(H,12,13,14)