1,5-bis[(4-methyl-3-nitro-phenyl)sulfonyl]-1,3,5-triazepane-3-carbaldehyde

Systemtic Name: 1,5-bis[(4-methyl-3-nitro-phenyl)sulfonyl]-1,3,5-triazepane-3-carbaldehyde Openeye Name: 1,5-bis[(4-methyl-3-nitro-phenyl)sulfonyl]-1,3,5-triazepane-3-carbaldehyde CAS Name: 1,5-bis[(4-methyl-3-nitrophenyl)sulfonyl]-1,3,5-triazepane-3-carboxaldehyde IUPAC Name: 1,5-bis[(4-methyl-3-nitrophenyl)sulfonyl]-1,3,5-triazepane-3-carbaldehyde Traditional Name: 1,5-bis[(4-methyl-3-nitro-phenyl)sulfonyl]-1,3,5-triazepane-3-carbaldehyde Formula: C19H21N5O9S2 MolecularWeight: 527.52814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CN(C2)C=O)S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CN(C2)C=O)S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O9S2/c1-14-3-5-16(9-18(14)23(26)27)34(30,31)21-7-8-22(12-20(11-21)13-25)35(32,33)17-6-4-15(2)19(10-17)24(28)29/h3-6,9-10,13H,7-8,11-12H2,1-2H3