4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(3-methylbutyl)benzamide

Systemtic Name: 4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(3-methylbutyl)benzamide Openeye Name: 4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-isopentyl-benzamide CAS Name: 4-[ethyl-[4-(methylthio)phenyl]sulfonylamino]-N-(3-methylbutyl)benzamide IUPAC Name: 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide Traditional Name: 4-[ethyl-[4-(methylthio)phenyl]sulfonyl-amino]-N-isoamyl-benzamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)NCCC(C)C)S(=O)(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)NCCC(C)C)S(=O)(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C21H28N2O3S2/c1-5-23(28(25,26)20-12-10-19(27-4)11-13-20)18-8-6-17(7-9-18)21(24)22-15-14-16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,22,24)