3-[ethyl-(phenylmethyl)amino]-4-methyl-benzenesulfonic acid

Systemtic Name: 3-[ethyl-(phenylmethyl)amino]-4-methyl-benzenesulfonic acid Openeye Name: 3-[benzyl(ethyl)amino]-4-methyl-benzenesulfonic acid CAS Name: 3-[ethyl-(phenylmethyl)amino]-4-methylbenzenesulfonic acid IUPAC Name: 3-[benzyl(ethyl)amino]-4-methylbenzenesulfonic acid Traditional Name: 3-[benzyl(ethyl)amino]-4-methyl-besylic acid Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=C(C=CC(=C2)S(=O)(=O)O)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=C(C=CC(=C2)S(=O)(=O)O)C

InChI

InChI=1S/C16H19NO3S/c1-3-17(12-14-7-5-4-6-8-14)16-11-15(21(18,19)20)10-9-13(16)2/h4-11H,3,12H2,1-2H3,(H,18,19,20)