N1-butyl-N3-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-4-methylsulfonyl-piperazine-1,3-dicarboxamide

Systemtic Name: N1-butyl-N3-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-4-methylsulfonyl-piperazine-1,3-dicarboxamide Openeye Name: N1-butyl-N3-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-4-methylsulfonyl-piperazine-1,3-dicarboxamide CAS Name: N1-butyl-N3-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-4-methylsulfonylpiperazine-1,3-dicarboxamide IUPAC Name: 1-N-butyl-3-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-4-methylsulfonylpiperazine-1,3-dicarboxamide Traditional Name: N-butyl-N'-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]-4-mesyl-piperazine-1,3-dicarboxamide Formula: C24H33N7O4S MolecularWeight: 515.62832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(C(C1)C(=O)NCCC2=CN=CN2CC3=CC=C(C=C3)C#N)S(=O)(=O)C

Isomeric SMILES

CCCCNC(=O)N1CCN(C(C1)C(=O)NCCC2=CN=CN2CC3=CC=C(C=C3)C#N)S(=O)(=O)C

InChI

InChI=1S/C24H33N7O4S/c1-3-4-10-28-24(33)29-12-13-31(36(2,34)35)22(17-29)23(32)27-11-9-21-15-26-18-30(21)16-20-7-5-19(14-25)6-8-20/h5-8,15,18,22H,3-4,9-13,16-17H2,1-2H3,(H,27,32)(H,28,33)