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

Systemtic Name: 2-[butyl-[(2-prop-1-en-2-ylphenyl)methyl]amino]ethanesulfonic acid Openeye Name: 2-[butyl-[(2-isopropenylphenyl)methyl]amino]ethanesulfonic acid CAS Name: 2-[butyl-[[2-(1-methylethenyl)phenyl]methyl]amino]ethanesulfonic acid IUPAC Name: 2-[butyl-[(2-prop-1-en-2-ylphenyl)methyl]amino]ethanesulfonic acid Traditional Name: 2-[butyl-(2-isopropenylbenzyl)amino]ethanesulfonic acid Formula: C16H25NO3S MolecularWeight: 311.4396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO3S/c1-4-5-10-17(11-12-21(18,19)20)13-15-8-6-7-9-16(15)14(2)3/h6-9H,2,4-5,10-13H2,1,3H3,(H,18,19,20)