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

Systemtic Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(4-methylsulfonylpiperazin-1-yl)hex-4-ynoic acid Openeye Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(4-methylsulfonylpiperazin-1-yl)hex-4-ynoic acid CAS Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(4-methylsulfonyl-1-piperazinyl)-4-hexynoic acid IUPAC Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(4-methylsulfonylpiperazin-1-yl)hex-4-ynoic acid Traditional Name: 6-(4-mesylpiperazino)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid Formula: C24H29N3O7S2 MolecularWeight: 535.63296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC#CCN3CCN(CC3)S(=O)(=O)C)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC#CCN3CCN(CC3)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C24H29N3O7S2/c1-34-21-10-6-19(7-11-21)20-8-12-22(13-9-20)36(32,33)25-23(24(28)29)5-3-4-14-26-15-17-27(18-16-26)35(2,30)31/h6-13,23,25H,5,14-18H2,1-2H3,(H,28,29)