2-azanyl-4-(4-methoxyphenyl)-2-(phenylsulfonyl)but-3-ynoic acid

Systemtic Name: 2-azanyl-4-(4-methoxyphenyl)-2-(phenylsulfonyl)but-3-ynoic acid Openeye Name: 2-amino-2-(benzenesulfonyl)-4-(4-methoxyphenyl)but-3-ynoic acid CAS Name: 2-amino-2-(benzenesulfonyl)-4-(4-methoxyphenyl)-3-butynoic acid IUPAC Name: 2-amino-2-(benzenesulfonyl)-4-(4-methoxyphenyl)but-3-ynoic acid Traditional Name: 2-amino-2-besyl-4-(4-methoxyphenyl)but-3-ynoic acid Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC(C(=O)O)(N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)C#CC(C(=O)O)(N)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H15NO5S/c1-23-14-9-7-13(8-10-14)11-12-17(18,16(19)20)24(21,22)15-5-3-2-4-6-15/h2-10H,18H2,1H3,(H,19,20)