4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(phenylsulfonyl)amino]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(phenylsulfonyl)amino]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-benzothiophene-2-carboxamide Openeye Name: 4-[benzenesulfonyl-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]amino]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]benzothiophene-2-carboxamide CAS Name: 4-[benzenesulfonyl-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl]amino]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-benzothiophene-2-carboxamide IUPAC Name: 4-[benzenesulfonyl-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]amino]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-benzothiophene-2-carboxamide Traditional Name: 4-[besyl-[[3-(4-cyanobenzyl)imidazol-4-yl]methyl]amino]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]benzothiophene-2-carboxamide Formula: C37H37N5O3S2 MolecularWeight: 663.85138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCNC(=O)C1=CC2=C(C=CC=C2S1)N(CC3=CN=CN3CC4=CC=C(C=C4)C#N)S(=O)(=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC(=CCC/C(=C/CNC(=O)C1=CC2=C(C=CC=C2S1)N(CC3=CN=CN3CC4=CC=C(C=C4)C#N)S(=O)(=O)C5=CC=CC=C5)/C)C

InChI

InChI=1S/C37H37N5O3S2/c1-27(2)9-7-10-28(3)19-20-40-37(43)36-21-33-34(13-8-14-35(33)46-36)42(47(44,45)32-11-5-4-6-12-32)25-31-23-39-26-41(31)24-30-17-15-29(22-38)16-18-30/h4-6,8-9,11-19,21,23,26H,7,10,20,24-25H2,1-3H3,(H,40,43)/b28-19+