N-azanyl-N-[3,8-bis[(2-nitrophenyl)sulfonyl]nonylamino]-2-nitro-benzenesulfonamide

Systemtic Name: N-azanyl-N-[3,8-bis[(2-nitrophenyl)sulfonyl]nonylamino]-2-nitro-benzenesulfonamide Openeye Name: N-amino-N-[3,8-bis[(2-nitrophenyl)sulfonyl]nonylamino]-2-nitro-benzenesulfonamide CAS Name: N-amino-N-[3,8-bis[(2-nitrophenyl)sulfonyl]nonylamino]-2-nitrobenzenesulfonamide IUPAC Name: N-amino-N-[3,8-bis[(2-nitrophenyl)sulfonyl]nonylamino]-2-nitrobenzenesulfonamide Traditional Name: N-amino-N-[3,8-bis[(2-nitrophenyl)sulfonyl]nonylamino]-2-nitro-benzenesulfonamide Formula: C27H32N6O12S3 MolecularWeight: 728.77098

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCC(CCNN(N)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(CCCCC(CCNN(N)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C27H32N6O12S3/c1-20(46(40,41)25-15-7-4-12-22(25)30(34)35)10-2-3-11-21(47(42,43)26-16-8-5-13-23(26)31(36)37)18-19-29-33(28)48(44,45)27-17-9-6-14-24(27)32(38)39/h4-9,12-17,20-21,29H,2-3,10-11,18-19,28H2,1H3