2-[methyl-[4-(prop-2-ynylamino)phenyl]sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[methyl-[4-(prop-2-ynylamino)phenyl]sulfonyl-amino]ethanoic acid Openeye Name: 2-[methyl-[4-(prop-2-ynylamino)phenyl]sulfonyl-amino]acetic acid CAS Name: 2-[methyl-[4-(prop-2-ynylamino)phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[methyl-[4-(prop-2-ynylamino)phenyl]sulfonylamino]acetic acid Traditional Name: 2-[methyl-[4-(propargylamino)phenyl]sulfonyl-amino]acetic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)NCC#C

Isomeric SMILES

CN(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)NCC#C

InChI

InChI=1S/C12H14N2O4S/c1-3-8-13-10-4-6-11(7-5-10)19(17,18)14(2)9-12(15)16/h1,4-7,13H,8-9H2,2H3,(H,15,16)