methyl N'-[4-[2-[[(2S)-1-[(4-methylphenyl)sulfonylcarbamoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]phenyl]sulfonylcarbamimidate

Systemtic Name: methyl N'-[4-[2-[[(2S)-1-[(4-methylphenyl)sulfonylcarbamoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]phenyl]sulfonylcarbamimidate Openeye Name: (2S)-N2-[2-[4-[(E)-[amino(methoxy)methylene]amino]sulfonylanilino]-2-oxo-ethyl]-N1-(p-tolylsulfonyl)pyrrolidine-1,2-dicarboxamide CAS Name: N'-[4-[[2-[[[(2S)-1-[[(4-methylphenyl)sulfonylamino]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]phenyl]sulfonylcarbamimidic acid methyl ester IUPAC Name: methyl N'-[4-[[2-[[(2S)-1-[(4-methylphenyl)sulfonylcarbamoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]phenyl]sulfonylcarbamimidate Traditional Name: (2S)-N'-[2-[4-[(E)-[amino(methoxy)methylene]amino]sulfonylanilino]-2-keto-ethyl]-N-tosyl-pyrrolidine-1,2-dicarboxamide Formula: C23H28N6O8S2 MolecularWeight: 580.63382

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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)OC

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)/OC

InChI

InChI=1S/C23H28N6O8S2/c1-15-5-9-17(10-6-15)39(35,36)28-23(32)29-13-3-4-19(29)21(31)25-14-20(30)26-16-7-11-18(12-8-16)38(33,34)27-22(24)37-2/h5-12,19H,3-4,13-14H2,1-2H3,(H2,24,27)(H,25,31)(H,26,30)(H,28,32)/t19-/m0/s1