N-[2-[[2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]ethyl]benzamide

Systemtic Name: N-[2-[[2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]ethyl]benzamide Openeye Name: N-[2-[[2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]ethyl]benzamide CAS Name: N-[2-[[2-[(2,5-dimethylphenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]amino]ethyl]benzamide IUPAC Name: N-[2-[[2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]ethyl]benzamide Traditional Name: N-[2-[[2-[(2,5-dimethylphenyl)sulfonylamino]-4-(methylthio)butanoyl]amino]ethyl]benzamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S2/c1-16-9-10-17(2)20(15-16)31(28,29)25-19(11-14-30-3)22(27)24-13-12-23-21(26)18-7-5-4-6-8-18/h4-10,15,19,25H,11-14H2,1-3H3,(H,23,26)(H,24,27)