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

Systemtic Name: 2-azanyl-4-(4-methylphenyl)-2-(phenylsulfonyl)but-3-ynoic acid Openeye Name: 2-amino-2-(benzenesulfonyl)-4-(p-tolyl)but-3-ynoic acid CAS Name: 2-amino-2-(benzenesulfonyl)-4-(4-methylphenyl)-3-butynoic acid IUPAC Name: 2-amino-2-(benzenesulfonyl)-4-(4-methylphenyl)but-3-ynoic acid Traditional Name: 2-amino-2-besyl-4-(p-tolyl)but-3-ynoic acid Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC(C(=O)O)(N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)C#CC(C(=O)O)(N)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H15NO4S/c1-13-7-9-14(10-8-13)11-12-17(18,16(19)20)23(21,22)15-5-3-2-4-6-15/h2-10H,18H2,1H3,(H,19,20)