5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(phenylsulfonyl)amino]-N-ethyl-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(phenylsulfonyl)amino]-N-ethyl-1-benzothiophene-2-carboxamide Openeye Name: 5-[benzenesulfonyl-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]amino]-N-ethyl-benzothiophene-2-carboxamide CAS Name: 5-[benzenesulfonyl-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl]amino]-N-ethyl-1-benzothiophene-2-carboxamide IUPAC Name: 5-[benzenesulfonyl-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]amino]-N-ethyl-1-benzothiophene-2-carboxamide Traditional Name: 5-[besyl-[[3-(4-cyanobenzyl)imidazol-4-yl]methyl]amino]-N-ethyl-benzothiophene-2-carboxamide Formula: C29H25N5O3S2 MolecularWeight: 555.6705

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC2=C(S1)C=CC(=C2)N(CC3=CN=CN3CC4=CC=C(C=C4)C#N)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCNC(=O)C1=CC2=C(S1)C=CC(=C2)N(CC3=CN=CN3CC4=CC=C(C=C4)C#N)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H25N5O3S2/c1-2-32-29(35)28-15-23-14-24(12-13-27(23)38-28)34(39(36,37)26-6-4-3-5-7-26)19-25-17-31-20-33(25)18-22-10-8-21(16-30)9-11-22/h3-15,17,20H,2,18-19H2,1H3,(H,32,35)