N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-methylsulfonyl-4-(phenylmethyl)piperazine-2-carboxamide

Systemtic Name: N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-methylsulfonyl-4-(phenylmethyl)piperazine-2-carboxamide Openeye Name: 4-benzyl-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-methylsulfonyl-piperazine-2-carboxamide CAS Name: N-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-1-methylsulfonyl-4-(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: 4-benzyl-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-methylsulfonylpiperazine-2-carboxamide Traditional Name: 4-benzyl-N-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]-1-mesyl-piperazine-2-carboxamide Formula: C26H30N6O3S MolecularWeight: 506.6198

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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)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1C(=O)NCCC2=CN=CN2CC3=CC=C(C=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N6O3S/c1-36(34,35)32-14-13-30(17-22-5-3-2-4-6-22)19-25(32)26(33)29-12-11-24-16-28-20-31(24)18-23-9-7-21(15-27)8-10-23/h2-10,16,20,25H,11-14,17-19H2,1H3,(H,29,33)