N-[[4-[bis(azanyl)methylideneamino]phenyl]methyl]-2-[[1-[(3-nitrophenyl)methylsulfonylamino]-2-oxidanyl-ethyl]amino]ethanamide

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]phenyl]methyl]-2-[[1-[(3-nitrophenyl)methylsulfonylamino]-2-oxidanyl-ethyl]amino]ethanamide Openeye Name: N-[(4-guanidinophenyl)methyl]-2-[[2-hydroxy-1-[(3-nitrophenyl)methylsulfonylamino]ethyl]amino]acetamide CAS Name: N-[[4-(diaminomethylideneamino)phenyl]methyl]-2-[[2-hydroxy-1-[(3-nitrophenyl)methylsulfonylamino]ethyl]amino]acetamide IUPAC Name: N-[[4-(diaminomethylideneamino)phenyl]methyl]-2-[[2-hydroxy-1-[(3-nitrophenyl)methylsulfonylamino]ethyl]amino]acetamide Traditional Name: N-(4-guanidinobenzyl)-2-[[2-hydroxy-1-[(3-nitrobenzyl)sulfonylamino]ethyl]amino]acetamide Formula: C19H25N7O6S MolecularWeight: 479.5101

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CS(=O)(=O)NC(CO)NCC(=O)NCC2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CS(=O)(=O)NC(CO)NCC(=O)NCC2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C19H25N7O6S/c20-19(21)24-15-6-4-13(5-7-15)9-23-18(28)10-22-17(11-27)25-33(31,32)12-14-2-1-3-16(8-14)26(29)30/h1-8,17,22,25,27H,9-12H2,(H,23,28)(H4,20,21,24)