3-azanyl-2-[4-[4-(2-methoxyethoxy)phenyl]phenyl]sulfonyl-5-phenyl-pent-4-ynoic acid

Systemtic Name: 3-azanyl-2-[4-[4-(2-methoxyethoxy)phenyl]phenyl]sulfonyl-5-phenyl-pent-4-ynoic acid Openeye Name: 3-amino-2-[4-[4-(2-methoxyethoxy)phenyl]phenyl]sulfonyl-5-phenyl-pent-4-ynoic acid CAS Name: 3-amino-2-[4-[4-(2-methoxyethoxy)phenyl]phenyl]sulfonyl-5-phenyl-4-pentynoic acid IUPAC Name: 3-amino-2-[4-[4-(2-methoxyethoxy)phenyl]phenyl]sulfonyl-5-phenylpent-4-ynoic acid Traditional Name: 3-amino-2-[4-[4-(2-methoxyethoxy)phenyl]phenyl]sulfonyl-5-phenyl-pent-4-ynoic acid Formula: C26H25NO6S MolecularWeight: 479.5448

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C(C(C#CC3=CC=CC=C3)N)C(=O)O

Isomeric SMILES

COCCOC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C(C(C#CC3=CC=CC=C3)N)C(=O)O

InChI

InChI=1S/C26H25NO6S/c1-32-17-18-33-22-12-8-20(9-13-22)21-10-14-23(15-11-21)34(30,31)25(26(28)29)24(27)16-7-19-5-3-2-4-6-19/h2-6,8-15,24-25H,17-18,27H2,1H3,(H,28,29)