6-(4-ethanoylpiperazin-1-yl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid

Systemtic Name: 6-(4-ethanoylpiperazin-1-yl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid Openeye Name: 6-(4-acetylpiperazin-1-yl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid CAS Name: 6-(4-acetyl-1-piperazinyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-4-hexynoic acid IUPAC Name: 6-(4-acetylpiperazin-1-yl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid Traditional Name: 6-(4-acetylpiperazino)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC#CCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)CC#CCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H29N3O6S/c1-19(29)28-17-15-27(16-18-28)14-4-3-5-24(25(30)31)26-35(32,33)23-12-8-21(9-13-23)20-6-10-22(34-2)11-7-20/h6-13,24,26H,5,14-18H2,1-2H3,(H,30,31)