2-[[4-(1,3-benzodioxol-5-yl)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-yl)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid Openeye Name: 2-[[4-(1,3-benzodioxol-5-yl)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid CAS Name: 2-[[4-(1,3-benzodioxol-5-yl)phenyl]sulfonylamino]-5-phenyl-4-pentynoic acid IUPAC Name: 2-[[4-(1,3-benzodioxol-5-yl)phenyl]sulfonylamino]-5-phenylpent-4-ynoic acid Traditional Name: 2-[[4-(1,3-benzodioxol-5-yl)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid Formula: C24H19NO6S MolecularWeight: 449.47576

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)NC(CC#CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)NC(CC#CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H19NO6S/c26-24(27)21(8-4-7-17-5-2-1-3-6-17)25-32(28,29)20-12-9-18(10-13-20)19-11-14-22-23(15-19)31-16-30-22/h1-3,5-6,9-15,21,25H,8,16H2,(H,26,27)