2-[butyl(phenyl)amino]ethanesulfonic acid

Systemtic Name: 2-[butyl(phenyl)amino]ethanesulfonic acid Openeye Name: 2-(N-butylanilino)ethanesulfonic acid CAS Name: 2-(N-butylanilino)ethanesulfonic acid IUPAC Name: 2-(N-butylanilino)ethanesulfonic acid Traditional Name: 2-(N-butylanilino)ethanesulfonic acid Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCS(=O)(=O)O)C1=CC=CC=C1

Isomeric SMILES

CCCCN(CCS(=O)(=O)O)C1=CC=CC=C1

InChI

InChI=1S/C12H19NO3S/c1-2-3-9-13(10-11-17(14,15)16)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,14,15,16)