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

Systemtic Name: 2-azanyl-5-(4-but-2-ynoxyphenyl)sulfonyl-3,4-dimethyl-benzoic acid Openeye Name: 2-amino-5-(4-but-2-ynoxyphenyl)sulfonyl-3,4-dimethyl-benzoic acid CAS Name: 2-amino-5-(4-but-2-ynoxyphenyl)sulfonyl-3,4-dimethylbenzoic acid IUPAC Name: 2-amino-5-(4-but-2-ynoxyphenyl)sulfonyl-3,4-dimethylbenzoic acid Traditional Name: 2-amino-5-(4-but-2-ynoxyphenyl)sulfonyl-3,4-dimethyl-benzoic acid Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO5S/c1-4-5-10-25-14-6-8-15(9-7-14)26(23,24)17-11-16(19(21)22)18(20)13(3)12(17)2/h6-9,11H,10,20H2,1-3H3,(H,21,22)