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

Systemtic Name: 2-chloranyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]ethyl]benzamide Openeye Name: 2-chloro-N-[2-[[4-methylsulfanyl-2-(p-tolylsulfonylamino)butanoyl]amino]ethyl]benzamide CAS Name: 2-chloro-N-[2-[[2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]amino]ethyl]benzamide IUPAC Name: 2-chloro-N-[2-[[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]ethyl]benzamide Traditional Name: 2-chloro-N-[2-[[4-(methylthio)-2-(tosylamino)butanoyl]amino]ethyl]benzamide Formula: C21H26ClN3O4S2 MolecularWeight: 484.03184

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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=C2Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCCNC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C21H26ClN3O4S2/c1-15-7-9-16(10-8-15)31(28,29)25-19(11-14-30-2)21(27)24-13-12-23-20(26)17-5-3-4-6-18(17)22/h3-10,19,25H,11-14H2,1-2H3,(H,23,26)(H,24,27)