2-[4-cyano-5-[(4-methylphenyl)sulfonylcarbamoylamino]imidazol-1-yl]ethyl N-(4-methylphenyl)sulfonylcarbamate

Systemtic Name: 2-[4-cyano-5-[(4-methylphenyl)sulfonylcarbamoylamino]imidazol-1-yl]ethyl N-(4-methylphenyl)sulfonylcarbamate Openeye Name: 2-[4-cyano-5-(p-tolylsulfonylcarbamoylamino)imidazol-1-yl]ethyl N-(p-tolylsulfonyl)carbamate CAS Name: N-(4-methylphenyl)sulfonylcarbamic acid 2-[4-cyano-5-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]-1-imidazolyl]ethyl ester IUPAC Name: 2-[4-cyano-5-[(4-methylphenyl)sulfonylcarbamoylamino]imidazol-1-yl]ethyl N-(4-methylphenyl)sulfonylcarbamate Traditional Name: N-tosylcarbamic acid 2-[4-cyano-5-(tosylcarbamoylamino)imidazol-1-yl]ethyl ester Formula: C22H22N6O7S2 MolecularWeight: 546.57608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(N=CN2CCOC(=O)NS(=O)(=O)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(N=CN2CCOC(=O)NS(=O)(=O)C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C22H22N6O7S2/c1-15-3-7-17(8-4-15)36(31,32)26-21(29)25-20-19(13-23)24-14-28(20)11-12-35-22(30)27-37(33,34)18-9-5-16(2)6-10-18/h3-10,14H,11-12H2,1-2H3,(H,27,30)(H2,25,26,29)