N-[2-[[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]ethyl]benzamide

Systemtic Name: N-[2-[[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]ethyl]benzamide Openeye Name: N-[2-[[4-methylsulfanyl-2-(p-tolylsulfonylamino)butanoyl]amino]ethyl]benzamide CAS Name: N-[2-[[2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]amino]ethyl]benzamide IUPAC Name: N-[2-[[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]ethyl]benzamide Traditional Name: N-[2-[[4-(methylthio)-2-(tosylamino)butanoyl]amino]ethyl]benzamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCCNC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCCNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H27N3O4S2/c1-16-8-10-18(11-9-16)30(27,28)24-19(12-15-29-2)21(26)23-14-13-22-20(25)17-6-4-3-5-7-17/h3-11,19,24H,12-15H2,1-2H3,(H,22,25)(H,23,26)