2-[[4-(4-methoxyphenyl)sulfonylthiophen-2-yl]sulfonylamino]-5-phenyl-pent-4-ynoic acid

Systemtic Name: 2-[[4-(4-methoxyphenyl)sulfonylthiophen-2-yl]sulfonylamino]-5-phenyl-pent-4-ynoic acid Openeye Name: 2-[[4-(4-methoxyphenyl)sulfonyl-2-thienyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid CAS Name: 2-[[4-(4-methoxyphenyl)sulfonyl-2-thiophenyl]sulfonylamino]-5-phenyl-4-pentynoic acid IUPAC Name: 2-[[4-(4-methoxyphenyl)sulfonylthiophen-2-yl]sulfonylamino]-5-phenylpent-4-ynoic acid Traditional Name: 2-[[4-(4-methoxyphenyl)sulfonyl-2-thienyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid Formula: C22H19NO7S3 MolecularWeight: 505.58376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=CSC(=C2)S(=O)(=O)NC(CC#CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=CSC(=C2)S(=O)(=O)NC(CC#CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H19NO7S3/c1-30-17-10-12-18(13-11-17)32(26,27)19-14-21(31-15-19)33(28,29)23-20(22(24)25)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-15,20,23H,9H2,1H3,(H,24,25)