2,5-dimethyl-3-(phenylsulfonylmethylamino)benzoic acid

Systemtic Name: 2,5-dimethyl-3-(phenylsulfonylmethylamino)benzoic acid Openeye Name: 3-(benzenesulfonylmethylamino)-2,5-dimethyl-benzoic acid CAS Name: 3-(benzenesulfonylmethylamino)-2,5-dimethylbenzoic acid IUPAC Name: 3-(benzenesulfonylmethylamino)-2,5-dimethylbenzoic acid Traditional Name: 3-(besylmethylamino)-2,5-dimethyl-benzoic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)C)NCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)C)NCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H17NO4S/c1-11-8-14(16(18)19)12(2)15(9-11)17-10-22(20,21)13-6-4-3-5-7-13/h3-9,17H,10H2,1-2H3,(H,18,19)