3-[(3-methylphenyl)-(phenylmethyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[(3-methylphenyl)-(phenylmethyl)amino]propane-1-sulfonic acid Openeye Name: 3-(N-benzyl-3-methyl-anilino)propane-1-sulfonic acid CAS Name: 3-(3-methyl-N-(phenylmethyl)anilino)-1-propanesulfonic acid IUPAC Name: 3-(N-benzyl-3-methylanilino)propane-1-sulfonic acid Traditional Name: 3-(N-benzyl-3-methyl-anilino)propane-1-sulfonic acid Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CCCS(=O)(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)N(CCCS(=O)(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C17H21NO3S/c1-15-7-5-10-17(13-15)18(11-6-12-22(19,20)21)14-16-8-3-2-4-9-16/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,19,20,21)