sodium 3-[(2-methylnaphthalen-1-yl)amino]propane-1-sulfonate

Systemtic Name: sodium 3-[(2-methylnaphthalen-1-yl)amino]propane-1-sulfonate Openeye Name: sodium 3-[(2-methyl-1-naphthyl)amino]propane-1-sulfonate CAS Name: sodium 3-[(2-methyl-1-naphthalenyl)amino]-1-propanesulfonate IUPAC Name: sodium 3-[(2-methylnaphthalen-1-yl)amino]propane-1-sulfonate Traditional Name: sodium 3-[(2-methyl-1-naphthyl)amino]propane-1-sulfonate Formula: C14H16NNaO3S MolecularWeight: 301.33651

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C=C1)NCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C2=CC=CC=C2C=C1)NCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H17NO3S.Na/c1-11-7-8-12-5-2-3-6-13(12)14(11)15-9-4-10-19(16,17)18;/h2-3,5-8,15H,4,9-10H2,1H3,(H,16,17,18);/q;+1/p-1