2-[butyl-(2-methyl-1-phenyl-propyl)amino]ethanesulfonic acid

Systemtic Name: 2-[butyl-(2-methyl-1-phenyl-propyl)amino]ethanesulfonic acid Openeye Name: 2-[butyl-(2-methyl-1-phenyl-propyl)amino]ethanesulfonic acid CAS Name: 2-[butyl-(2-methyl-1-phenylpropyl)amino]ethanesulfonic acid IUPAC Name: 2-[butyl-(2-methyl-1-phenylpropyl)amino]ethanesulfonic acid Traditional Name: 2-[butyl-(2-methyl-1-phenyl-propyl)amino]ethanesulfonic acid Formula: C16H27NO3S MolecularWeight: 313.45548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO3S/c1-4-5-11-17(12-13-21(18,19)20)16(14(2)3)15-9-7-6-8-10-15/h6-10,14,16H,4-5,11-13H2,1-3H3,(H,18,19,20)