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

Systemtic Name: N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-ethylsulfonyl-4-(phenylmethyl)piperazine-2-carboxamide Openeye Name: 4-benzyl-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-ethylsulfonyl-piperazine-2-carboxamide CAS Name: N-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-1-ethylsulfonyl-4-(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: 4-benzyl-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-ethylsulfonylpiperazine-2-carboxamide Traditional Name: 4-benzyl-N-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]-1-esyl-piperazine-2-carboxamide Formula: C27H32N6O3S MolecularWeight: 520.64638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N6O3S/c1-2-37(35,36)33-15-14-31(18-23-6-4-3-5-7-23)20-26(33)27(34)30-13-12-25-17-29-21-32(25)19-24-10-8-22(16-28)9-11-24/h3-11,17,21,26H,2,12-15,18-20H2,1H3,(H,30,34)