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

Systemtic Name: 2-azanyl-5-(4-hept-2-ynoxyphenyl)sulfonyl-3,4-dimethyl-benzoic acid Openeye Name: 2-amino-5-(4-hept-2-ynoxyphenyl)sulfonyl-3,4-dimethyl-benzoic acid CAS Name: 2-amino-5-(4-hept-2-ynoxyphenyl)sulfonyl-3,4-dimethylbenzoic acid IUPAC Name: 2-amino-5-(4-hept-2-ynoxyphenyl)sulfonyl-3,4-dimethylbenzoic acid Traditional Name: 2-amino-5-(4-hept-2-ynoxyphenyl)sulfonyl-3,4-dimethyl-benzoic acid Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S/c1-4-5-6-7-8-13-28-17-9-11-18(12-10-17)29(26,27)20-14-19(22(24)25)21(23)16(3)15(20)2/h9-12,14H,4-6,13,23H2,1-3H3,(H,24,25)