[[[acetyloxymethyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]methyl-nitro-amino]methyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]methyl ethanoate

Systemtic Name: [[[acetyloxymethyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]methyl-nitro-amino]methyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]methyl ethanoate Openeye Name: [[[acetoxymethyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]methyl-nitro-amino]methyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]methyl acetate CAS Name: acetic acid [[[acetyloxymethyl-(4-methyl-3-nitrophenyl)sulfonylamino]methyl-nitroamino]methyl-(4-methyl-3-nitrophenyl)sulfonylamino]methyl ester IUPAC Name: [[[acetyloxymethyl-(4-methyl-3-nitrophenyl)sulfonylamino]methyl-nitroamino]methyl-(4-methyl-3-nitrophenyl)sulfonylamino]methyl acetate Traditional Name: acetic acid [[[acetoxymethyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]methyl-nitro-amino]methyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]methyl ester Formula: C22H26N6O14S2 MolecularWeight: 662.60364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(CN(CN(COC(=O)C)S(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-])COC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(CN(CN(COC(=O)C)S(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-])COC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O14S2/c1-15-5-7-19(9-21(15)26(31)32)43(37,38)24(13-41-17(3)29)11-23(28(35)36)12-25(14-42-18(4)30)44(39,40)20-8-6-16(2)22(10-20)27(33)34/h5-10H,11-14H2,1-4H3