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

Systemtic Name: N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]-1-mesyl-nipecotamide Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)NCCC2=CN=CN2CC3=CC=C(C=C3)C#N

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C(=O)NCCC2=CN=CN2CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H25N5O3S/c1-29(27,28)25-10-2-3-18(14-25)20(26)23-9-8-19-12-22-15-24(19)13-17-6-4-16(11-21)5-7-17/h4-7,12,15,18H,2-3,8-10,13-14H2,1H3,(H,23,26)