3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methyl-benzoic acid Openeye Name: 3-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-4-methyl-benzoic acid CAS Name: 3-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-4-methylbenzoic acid IUPAC Name: 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methylbenzoic acid Traditional Name: 4-methyl-3-(naphthionylamino)benzoic acid Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

InChI

InChI=1S/C20H20N2O4S/c1-13-10-11-14(20(23)24)12-17(13)21-27(25,26)19-9-5-6-15-16(19)7-4-8-18(15)22(2)3/h4-12,21H,1-3H3,(H,23,24)