N-tert-butyl-2-[[4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]phenyl]carbonylamino]benzamide

Systemtic Name: N-tert-butyl-2-[[4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]phenyl]carbonylamino]benzamide Openeye Name: N-tert-butyl-2-[[4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzoyl]amino]benzamide CAS Name: N-tert-butyl-2-[[[4-[ethyl-[4-(methylthio)phenyl]sulfonylamino]phenyl]-oxomethyl]amino]benzamide IUPAC Name: N-tert-butyl-2-[[4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzoyl]amino]benzamide Traditional Name: N-tert-butyl-2-[[4-[ethyl-[4-(methylthio)phenyl]sulfonyl-amino]benzoyl]amino]benzamide Formula: C27H31N3O4S2 MolecularWeight: 525.68274

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(C)(C)C)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(C)(C)C)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C27H31N3O4S2/c1-6-30(36(33,34)22-17-15-21(35-5)16-18-22)20-13-11-19(12-14-20)25(31)28-24-10-8-7-9-23(24)26(32)29-27(2,3)4/h7-18H,6H2,1-5H3,(H,28,31)(H,29,32)