2-(dimethylamino)-4-methyl-6-(phenylmethyl)benzenesulfonate

Systemtic Name: 2-(dimethylamino)-4-methyl-6-(phenylmethyl)benzenesulfonate Openeye Name: 2-benzyl-6-(dimethylamino)-4-methyl-benzenesulfonate CAS Name: 2-(dimethylamino)-4-methyl-6-(phenylmethyl)benzenesulfonate IUPAC Name: 2-benzyl-6-(dimethylamino)-4-methylbenzenesulfonate Traditional Name: 2-benzyl-6-(dimethylamino)-4-methyl-besylate Formula: C16H18NO3S- MolecularWeight: 304.38402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N(C)C)S(=O)(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C(=C1)N(C)C)S(=O)(=O)[O-])CC2=CC=CC=C2

InChI

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