1-[butyl(phenyl)amino]propane-1-sulfonic acid

Systemtic Name: 1-[butyl(phenyl)amino]propane-1-sulfonic acid Openeye Name: 1-(N-butylanilino)propane-1-sulfonic acid CAS Name: 1-(N-butylanilino)-1-propanesulfonic acid IUPAC Name: 1-(N-butylanilino)propane-1-sulfonic acid Traditional Name: 1-(N-butylanilino)propane-1-sulfonic acid Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)C(CC)S(=O)(=O)O

Isomeric SMILES

CCCCN(C1=CC=CC=C1)C(CC)S(=O)(=O)O

InChI

InChI=1S/C13H21NO3S/c1-3-5-11-14(12-9-7-6-8-10-12)13(4-2)18(15,16)17/h6-10,13H,3-5,11H2,1-2H3,(H,15,16,17)