N-(4-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide; ethanedioic acid

Systemtic Name: N-(4-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide; ethanedioic acid Openeye Name: N-(4-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide; oxalic acid CAS Name: N-(4-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]propanamide; oxalic acid IUPAC Name: N-(4-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide; oxalic acid Traditional Name: N-(4-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazino]propionamide; oxalic acid Formula: C22H23FN4O7S MolecularWeight: 506.504023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C#N)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H21FN4O3S.C2H2O4/c1-15(20(26)23-17-8-6-16(14-22)7-9-17)24-10-12-25(13-11-24)29(27,28)19-5-3-2-4-18(19)21;3-1(4)2(5)6/h2-9,15H,10-13H2,1H3,(H,23,26);(H,3,4)(H,5,6)