2-[(2-prop-1-en-2-ylphenyl)methyl-propyl-amino]ethanesulfonic acid

Systemtic Name: 2-[(2-prop-1-en-2-ylphenyl)methyl-propyl-amino]ethanesulfonic acid Openeye Name: 2-[(2-isopropenylphenyl)methyl-propyl-amino]ethanesulfonic acid CAS Name: 2-[[2-(1-methylethenyl)phenyl]methyl-propylamino]ethanesulfonic acid IUPAC Name: 2-[(2-prop-1-en-2-ylphenyl)methyl-propylamino]ethanesulfonic acid Traditional Name: 2-[(2-isopropenylbenzyl)-propyl-amino]ethanesulfonic acid Formula: C15H23NO3S MolecularWeight: 297.41302

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCS(=O)(=O)O)CC1=CC=CC=C1C(=C)C

Isomeric SMILES

CCCN(CCS(=O)(=O)O)CC1=CC=CC=C1C(=C)C

InChI

InChI=1S/C15H23NO3S/c1-4-9-16(10-11-20(17,18)19)12-14-7-5-6-8-15(14)13(2)3/h5-8H,2,4,9-12H2,1,3H3,(H,17,18,19)