2-[(4-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]-N-[(2-imidazol-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(4-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]-N-[(2-imidazol-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonyl-anilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide CAS Name: 2-(4-ethoxy-N-[4-(methylthio)phenyl]sulfonylanilino)-N-[[2-(1-imidazolyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide Traditional Name: 2-(4-ethoxy-N-[4-(methylthio)phenyl]sulfonyl-anilino)-N-(2-imidazol-1-ylbenzyl)acetamide Formula: C27H28N4O4S2 MolecularWeight: 536.66562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CC=C2N3C=CN=C3)S(=O)(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CC=C2N3C=CN=C3)S(=O)(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C27H28N4O4S2/c1-3-35-23-10-8-22(9-11-23)31(37(33,34)25-14-12-24(36-2)13-15-25)19-27(32)29-18-21-6-4-5-7-26(21)30-17-16-28-20-30/h4-17,20H,3,18-19H2,1-2H3,(H,29,32)