methyl 6-(4-ethanoylpiperazin-1-yl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]hex-4-ynoate

Systemtic Name: methyl 6-(4-ethanoylpiperazin-1-yl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]hex-4-ynoate Openeye Name: methyl 6-(4-acetylpiperazin-1-yl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]hex-4-ynoate CAS Name: 6-(4-acetyl-1-piperazinyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-4-hexynoic acid methyl ester IUPAC Name: methyl 6-(4-acetylpiperazin-1-yl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]hex-4-ynoate Traditional Name: 6-(4-acetylpiperazino)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid methyl ester Formula: C26H31N3O6S MolecularWeight: 513.60584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O6S/c1-20(30)29-18-16-28(17-19-29)15-5-4-6-25(26(31)35-3)27-36(32,33)24-13-9-22(10-14-24)21-7-11-23(34-2)12-8-21/h7-14,25,27H,6,15-19H2,1-3H3