4-methyl-N-[4-[(4-methyl-3-nitro-phenyl)sulfonylamino]butyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-methyl-N-[4-[(4-methyl-3-nitro-phenyl)sulfonylamino]butyl]-3-nitro-benzenesulfonamide Openeye Name: 4-methyl-N-[4-[(4-methyl-3-nitro-phenyl)sulfonylamino]butyl]-3-nitro-benzenesulfonamide CAS Name: 4-methyl-N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]butyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]butyl]-3-nitrobenzenesulfonamide Traditional Name: 4-methyl-N-[4-[(4-methyl-3-nitro-phenyl)sulfonylamino]butyl]-3-nitro-benzenesulfonamide Formula: C18H22N4O8S2 MolecularWeight: 486.51928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O8S2/c1-13-5-7-15(11-17(13)21(23)24)31(27,28)19-9-3-4-10-20-32(29,30)16-8-6-14(2)18(12-16)22(25)26/h5-8,11-12,19-20H,3-4,9-10H2,1-2H3