3-(1-naphthalen-1-ylethylamino)-5-sulfamoyl-4-thiophen-2-yl-benzoic acid

Systemtic Name: 3-(1-naphthalen-1-ylethylamino)-5-sulfamoyl-4-thiophen-2-yl-benzoic acid Openeye Name: 3-[1-(1-naphthyl)ethylamino]-5-sulfamoyl-4-(2-thienyl)benzoic acid CAS Name: 3-[1-(1-naphthalenyl)ethylamino]-5-sulfamoyl-4-thiophen-2-ylbenzoic acid IUPAC Name: 3-(1-naphthalen-1-ylethylamino)-5-sulfamoyl-4-thiophen-2-ylbenzoic acid Traditional Name: 3-[1-(1-naphthyl)ethylamino]-5-sulfamoyl-4-(2-thienyl)benzoic acid Formula: C23H20N2O4S2 MolecularWeight: 452.5459

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC3=C(C(=CC(=C3)C(=O)O)S(=O)(=O)N)C4=CC=CS4

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC3=C(C(=CC(=C3)C(=O)O)S(=O)(=O)N)C4=CC=CS4

InChI

InChI=1S/C23H20N2O4S2/c1-14(17-9-4-7-15-6-2-3-8-18(15)17)25-19-12-16(23(26)27)13-21(31(24,28)29)22(19)20-10-5-11-30-20/h2-14,25H,1H3,(H,26,27)(H2,24,28,29)