4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide

Systemtic Name: 4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide Openeye Name: 4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-[(4-morpholinophenyl)methyl]benzamide CAS Name: 4-[ethyl-[4-(methylthio)phenyl]sulfonylamino]-N-[[4-(4-morpholinyl)phenyl]methyl]benzamide IUPAC Name: 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide Traditional Name: 4-[ethyl-[4-(methylthio)phenyl]sulfonyl-amino]-N-(4-morpholinobenzyl)benzamide Formula: C27H31N3O4S2 MolecularWeight: 525.68274

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C27H31N3O4S2/c1-3-30(36(32,33)26-14-12-25(35-2)13-15-26)24-10-6-22(7-11-24)27(31)28-20-21-4-8-23(9-5-21)29-16-18-34-19-17-29/h4-15H,3,16-20H2,1-2H3,(H,28,31)