2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-ethyl-benzoic acid

Systemtic Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-ethyl-benzoic acid Openeye Name: 2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-5-ethyl-benzoic acid CAS Name: 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-5-ethylbenzoic acid IUPAC Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-ethylbenzoic acid Traditional Name: 5-ethyl-2-(naphthionylamino)benzoic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)C(=O)O

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)C(=O)O

InChI

InChI=1S/C21H22N2O4S/c1-4-14-11-12-18(17(13-14)21(24)25)22-28(26,27)20-10-6-7-15-16(20)8-5-9-19(15)23(2)3/h5-13,22H,4H2,1-3H3,(H,24,25)