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

Systemtic Name: N-[2-[3-[(3-cyanophenyl)methyl]imidazol-4-yl]ethyl]-4-hexyl-1-methylsulfonyl-piperazine-2-carboxamide Openeye Name: N-[2-[3-[(3-cyanophenyl)methyl]imidazol-4-yl]ethyl]-4-hexyl-1-methylsulfonyl-piperazine-2-carboxamide CAS Name: N-[2-[3-[(3-cyanophenyl)methyl]-4-imidazolyl]ethyl]-4-hexyl-1-methylsulfonyl-2-piperazinecarboxamide IUPAC Name: N-[2-[3-[(3-cyanophenyl)methyl]imidazol-4-yl]ethyl]-4-hexyl-1-methylsulfonylpiperazine-2-carboxamide Traditional Name: N-[2-[3-(3-cyanobenzyl)imidazol-4-yl]ethyl]-4-hexyl-1-mesyl-piperazine-2-carboxamide Formula: C25H36N6O3S MolecularWeight: 500.65674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCN(C(C1)C(=O)NCCC2=CN=CN2CC3=CC=CC(=C3)C#N)S(=O)(=O)C

Isomeric SMILES

CCCCCCN1CCN(C(C1)C(=O)NCCC2=CN=CN2CC3=CC=CC(=C3)C#N)S(=O)(=O)C

InChI

InChI=1S/C25H36N6O3S/c1-3-4-5-6-12-29-13-14-31(35(2,33)34)24(19-29)25(32)28-11-10-23-17-27-20-30(23)18-22-9-7-8-21(15-22)16-26/h7-9,15,17,20,24H,3-6,10-14,18-19H2,1-2H3,(H,28,32)