N1-(3-cyanophenyl)-N3-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-4-methylsulfonyl-piperazine-1,3-dicarboxamide

Systemtic Name: N1-(3-cyanophenyl)-N3-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-4-methylsulfonyl-piperazine-1,3-dicarboxamide Openeye Name: N1-(3-cyanophenyl)-N3-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-4-methylsulfonyl-piperazine-1,3-dicarboxamide CAS Name: N1-(3-cyanophenyl)-N3-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-4-methylsulfonylpiperazine-1,3-dicarboxamide IUPAC Name: 1-N-(3-cyanophenyl)-3-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-4-methylsulfonylpiperazine-1,3-dicarboxamide Traditional Name: N'-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]-N-(3-cyanophenyl)-4-mesyl-piperazine-1,3-dicarboxamide Formula: C27H28N8O4S MolecularWeight: 560.62742

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1C(=O)NCCC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1C(=O)NCCC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C27H28N8O4S/c1-40(38,39)35-12-11-33(27(37)32-23-4-2-3-22(13-23)15-29)18-25(35)26(36)31-10-9-24-16-30-19-34(24)17-21-7-5-20(14-28)6-8-21/h2-8,13,16,19,25H,9-12,17-18H2,1H3,(H,31,36)(H,32,37)