methyl 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(phenylsulfonyl)amino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(phenylsulfonyl)amino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 4-[benzenesulfonyl-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]amino]benzothiophene-2-carboxylate CAS Name: 4-[benzenesulfonyl-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[benzenesulfonyl-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 4-[besyl-[[3-(4-cyanobenzyl)imidazol-4-yl]methyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C28H22N4O4S2 MolecularWeight: 542.62868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22N4O4S2/c1-36-28(33)27-14-24-25(8-5-9-26(24)37-27)32(38(34,35)23-6-3-2-4-7-23)18-22-16-30-19-31(22)17-21-12-10-20(15-29)11-13-21/h2-14,16,19H,17-18H2,1H3