2-azanyl-6-(4-but-2-ynoxyphenyl)sulfonyl-5-iodanyl-3,4-dimethyl-benzoic acid

Systemtic Name: 2-azanyl-6-(4-but-2-ynoxyphenyl)sulfonyl-5-iodanyl-3,4-dimethyl-benzoic acid Openeye Name: 2-amino-6-(4-but-2-ynoxyphenyl)sulfonyl-5-iodo-3,4-dimethyl-benzoic acid CAS Name: 2-amino-6-(4-but-2-ynoxyphenyl)sulfonyl-5-iodo-3,4-dimethylbenzoic acid IUPAC Name: 2-amino-6-(4-but-2-ynoxyphenyl)sulfonyl-5-iodo-3,4-dimethylbenzoic acid Traditional Name: 2-amino-6-(4-but-2-ynoxyphenyl)sulfonyl-5-iodo-3,4-dimethyl-benzoic acid Formula: C19H18INO5S MolecularWeight: 499.31939

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(C(=C2C(=O)O)N)C)C)I

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(C(=C2C(=O)O)N)C)C)I

InChI

InChI=1S/C19H18INO5S/c1-4-5-10-26-13-6-8-14(9-7-13)27(24,25)18-15(19(22)23)17(21)12(3)11(2)16(18)20/h6-9H,10,21H2,1-3H3,(H,22,23)