(2S)-N2-[2-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]amino]-2-oxidanylidene-ethyl]-N1-(4-methylphenyl)sulfonyl-pyrrolidine-1,2-dicarboxamide

Systemtic Name: (2S)-N2-[2-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]amino]-2-oxidanylidene-ethyl]-N1-(4-methylphenyl)sulfonyl-pyrrolidine-1,2-dicarboxamide Openeye Name: (2S)-N2-[2-(4-guanidinosulfonylanilino)-2-oxo-ethyl]-N1-(p-tolylsulfonyl)pyrrolidine-1,2-dicarboxamide CAS Name: (2S)-N2-[2-[4-(diaminomethylideneamino)sulfonylanilino]-2-oxoethyl]-N1-(4-methylphenyl)sulfonylpyrrolidine-1,2-dicarboxamide IUPAC Name: (2S)-2-N-[2-[4-(diaminomethylideneamino)sulfonylanilino]-2-oxoethyl]-1-N-(4-methylphenyl)sulfonylpyrrolidine-1,2-dicarboxamide Traditional Name: (2S)-N'-[2-(4-guanidinosulfonylanilino)-2-keto-ethyl]-N-tosyl-pyrrolidine-1,2-dicarboxamide Formula: C22H27N7O7S2 MolecularWeight: 565.62248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCCC2C(=O)NCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCC[C@H]2C(=O)NCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C22H27N7O7S2/c1-14-4-8-16(9-5-14)38(35,36)28-22(32)29-12-2-3-18(29)20(31)25-13-19(30)26-15-6-10-17(11-7-15)37(33,34)27-21(23)24/h4-11,18H,2-3,12-13H2,1H3,(H,25,31)(H,26,30)(H,28,32)(H4,23,24,27)/t18-/m0/s1