[5-[(2-nitro-4-sulfamoyl-phenyl)amino]-6-phenylsulfanyl-hexyl]carbamic acid

Systemtic Name: [5-[(2-nitro-4-sulfamoyl-phenyl)amino]-6-phenylsulfanyl-hexyl]carbamic acid Openeye Name: [5-(2-nitro-4-sulfamoyl-anilino)-6-phenylsulfanyl-hexyl]carbamic acid CAS Name: [5-(2-nitro-4-sulfamoylanilino)-6-(phenylthio)hexyl]carbamic acid IUPAC Name: [5-(2-nitro-4-sulfamoylanilino)-6-phenylsulfanylhexyl]carbamic acid Traditional Name: [5-(2-nitro-4-sulfamoyl-anilino)-6-(phenylthio)hexyl]carbamic acid Formula: C19H24N4O6S2 MolecularWeight: 468.54706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(CCCCNC(=O)O)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCC(CCCCNC(=O)O)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O6S2/c20-31(28,29)16-9-10-17(18(12-16)23(26)27)22-14(6-4-5-11-21-19(24)25)13-30-15-7-2-1-3-8-15/h1-3,7-10,12,14,21-22H,4-6,11,13H2,(H,24,25)(H2,20,28,29)