4-methyl-2-(quinolin-2-ylmethyl)benzenesulfonic acid

Systemtic Name: 4-methyl-2-(quinolin-2-ylmethyl)benzenesulfonic acid Openeye Name: 4-methyl-2-(2-quinolylmethyl)benzenesulfonic acid CAS Name: 4-methyl-2-(2-quinolinylmethyl)benzenesulfonic acid IUPAC Name: 4-methyl-2-(quinolin-2-ylmethyl)benzenesulfonic acid Traditional Name: 4-methyl-2-(2-quinolylmethyl)besylic acid Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)CC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)CC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H15NO3S/c1-12-6-9-17(22(19,20)21)14(10-12)11-15-8-7-13-4-2-3-5-16(13)18-15/h2-10H,11H2,1H3,(H,19,20,21)