(5-nitrobenzotriazol-1-yl)methyl N-[[4-[[5-[(2-chlorophenyl)sulfonylamino]-2-octoxy-phenyl]sulfonylamino]phenyl]amino]carbamate

Systemtic Name: (5-nitrobenzotriazol-1-yl)methyl N-[[4-[[5-[(2-chlorophenyl)sulfonylamino]-2-octoxy-phenyl]sulfonylamino]phenyl]amino]carbamate Openeye Name: (5-nitrobenzotriazol-1-yl)methyl N-[4-[[5-[(2-chlorophenyl)sulfonylamino]-2-octoxy-phenyl]sulfonylamino]anilino]carbamate CAS Name: N-[4-[[5-[(2-chlorophenyl)sulfonylamino]-2-octoxyphenyl]sulfonylamino]anilino]carbamic acid (5-nitro-1-benzotriazolyl)methyl ester IUPAC Name: (5-nitrobenzotriazol-1-yl)methyl N-[4-[[5-[(2-chlorophenyl)sulfonylamino]-2-octoxyphenyl]sulfonylamino]anilino]carbamate Traditional Name: N-[4-[[5-[(2-chlorophenyl)sulfonylamino]-2-octoxy-phenyl]sulfonylamino]anilino]carbamic acid (5-nitrobenzotriazol-1-yl)methyl ester Formula: C34H37ClN8O9S2 MolecularWeight: 801.28878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC=C2Cl)S(=O)(=O)NC3=CC=C(C=C3)NNC(=O)OCN4C5=C(C=C(C=C5)[N+](=O)[O-])N=N4

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC=C2Cl)S(=O)(=O)NC3=CC=C(C=C3)NNC(=O)OCN4C5=C(C=C(C=C5)[N+](=O)[O-])N=N4

InChI

InChI=1S/C34H37ClN8O9S2/c1-2-3-4-5-6-9-20-51-31-19-16-26(40-53(47,48)32-11-8-7-10-28(32)35)21-33(31)54(49,50)39-25-14-12-24(13-15-25)36-38-34(44)52-23-42-30-18-17-27(43(45)46)22-29(30)37-41-42/h7-8,10-19,21-22,36,39-40H,2-6,9,20,23H2,1H3,(H,38,44)