N-(1-adamantyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzamide

Systemtic Name: N-(1-adamantyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzamide Openeye Name: N-(1-adamantyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzamide CAS Name: N-(1-adamantyl)-4-[ethyl-[4-(methylthio)phenyl]sulfonylamino]benzamide IUPAC Name: N-(1-adamantyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide Traditional Name: N-(1-adamantyl)-4-[ethyl-[4-(methylthio)phenyl]sulfonyl-amino]benzamide Formula: C26H32N2O3S2 MolecularWeight: 484.67388

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=C(C=C5)SC

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=C(C=C5)SC

InChI

InChI=1S/C26H32N2O3S2/c1-3-28(33(30,31)24-10-8-23(32-2)9-11-24)22-6-4-21(5-7-22)25(29)27-26-15-18-12-19(16-26)14-20(13-18)17-26/h4-11,18-20H,3,12-17H2,1-2H3,(H,27,29)