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

Systemtic Name: N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-methylsulfonyl-4-phenethyl-piperazine-2-carboxamide Openeye Name: N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-methylsulfonyl-4-phenethyl-piperazine-2-carboxamide CAS Name: N-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-1-methylsulfonyl-4-phenethyl-2-piperazinecarboxamide IUPAC Name: N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-methylsulfonyl-4-phenethylpiperazine-2-carboxamide Traditional Name: N-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]-1-mesyl-4-phenethyl-piperazine-2-carboxamide Formula: C27H32N6O3S MolecularWeight: 520.64638

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1C(=O)NCCC2=CN=CN2CC3=CC=C(C=C3)C#N)CCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1C(=O)NCCC2=CN=CN2CC3=CC=C(C=C3)C#N)CCC4=CC=CC=C4

InChI

InChI=1S/C27H32N6O3S/c1-37(35,36)33-16-15-31(14-12-22-5-3-2-4-6-22)20-26(33)27(34)30-13-11-25-18-29-21-32(25)19-24-9-7-23(17-28)8-10-24/h2-10,18,21,26H,11-16,19-20H2,1H3,(H,30,34)