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

Systemtic Name: N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-(phenylmethyl)sulfonyl-piperidine-3-carboxamide Openeye Name: 1-benzylsulfonyl-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide CAS Name: N-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-1-(phenylmethyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide Traditional Name: 1-benzylsulfonyl-N-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]nipecotamide Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NCCC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NCCC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H29N5O3S/c27-15-21-8-10-22(11-9-21)17-30-20-28-16-25(30)12-13-29-26(32)24-7-4-14-31(18-24)35(33,34)19-23-5-2-1-3-6-23/h1-3,5-6,8-11,16,20,24H,4,7,12-14,17-19H2,(H,29,32)