3-(4-phenylbutan-2-ylamino)propane-1-sulfonic acid

Systemtic Name: 3-(4-phenylbutan-2-ylamino)propane-1-sulfonic acid Openeye Name: 3-[(1-methyl-3-phenyl-propyl)amino]propane-1-sulfonic acid CAS Name: 3-(4-phenylbutan-2-ylamino)-1-propanesulfonic acid IUPAC Name: 3-(4-phenylbutan-2-ylamino)propane-1-sulfonic acid Traditional Name: 3-[(1-methyl-3-phenyl-propyl)amino]propane-1-sulfonic acid Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NCCCS(=O)(=O)O

Isomeric SMILES

CC(CCC1=CC=CC=C1)NCCCS(=O)(=O)O

InChI

InChI=1S/C13H21NO3S/c1-12(14-10-5-11-18(15,16)17)8-9-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,15,16,17)