(2S)-N-[4-(cyanosulfamoyl)phenyl]-3-(1H-imidazol-5-yl)-2-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propanoylamino]propanamide

Systemtic Name: (2S)-N-[4-(cyanosulfamoyl)phenyl]-3-(1H-imidazol-5-yl)-2-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propanoylamino]propanamide Openeye Name: (2S)-N-[4-(cyanosulfamoyl)phenyl]-3-(1H-imidazol-5-yl)-2-[3-(p-tolylsulfonylcarbamoylamino)propanoylamino]propanamide CAS Name: (2S)-N-[4-(cyanosulfamoyl)phenyl]-3-(1H-imidazol-5-yl)-2-[[3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]-1-oxopropyl]amino]propanamide IUPAC Name: (2S)-N-[4-(cyanosulfamoyl)phenyl]-3-(1H-imidazol-5-yl)-2-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propanoylamino]propanamide Traditional Name: (2S)-N-[4-(cyanosulfamoyl)phenyl]-3-(1H-imidazol-5-yl)-2-[3-(tosylcarbamoylamino)propanoylamino]propionamide Formula: C24H26N8O7S2 MolecularWeight: 602.64264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC(=O)NC(CC2=CN=CN2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC(=O)N[C@@H](CC2=CN=CN2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC#N

InChI

InChI=1S/C24H26N8O7S2/c1-16-2-6-20(7-3-16)41(38,39)32-24(35)27-11-10-22(33)31-21(12-18-13-26-15-28-18)23(34)30-17-4-8-19(9-5-17)40(36,37)29-14-25/h2-9,13,15,21,29H,10-12H2,1H3,(H,26,28)(H,30,34)(H,31,33)(H2,27,32,35)/t21-/m0/s1