3-[(2-ethylnaphthalen-1-yl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[(2-ethylnaphthalen-1-yl)amino]propane-1-sulfonic acid Openeye Name: 3-[(2-ethyl-1-naphthyl)amino]propane-1-sulfonic acid CAS Name: 3-[(2-ethyl-1-naphthalenyl)amino]-1-propanesulfonic acid IUPAC Name: 3-[(2-ethylnaphthalen-1-yl)amino]propane-1-sulfonic acid Traditional Name: 3-[(2-ethyl-1-naphthyl)amino]propane-1-sulfonic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2C=C1)NCCCS(=O)(=O)O

Isomeric SMILES

CCC1=C(C2=CC=CC=C2C=C1)NCCCS(=O)(=O)O

InChI

InChI=1S/C15H19NO3S/c1-2-12-8-9-13-6-3-4-7-14(13)15(12)16-10-5-11-20(17,18)19/h3-4,6-9,16H,2,5,10-11H2,1H3,(H,17,18,19)