N-[[2-(1,4-diazepan-1-yl)-5-nitro-phenyl]methylideneamino]-4-methyl-benzenesulfonamide

Systemtic Name: N-[[2-(1,4-diazepan-1-yl)-5-nitro-phenyl]methylideneamino]-4-methyl-benzenesulfonamide Openeye Name: N-[[2-(1,4-diazepan-1-yl)-5-nitro-phenyl]methyleneamino]-4-methyl-benzenesulfonamide CAS Name: N-[[2-(1,4-diazepan-1-yl)-5-nitrophenyl]methylideneamino]-4-methylbenzenesulfonamide IUPAC Name: N-[[2-(1,4-diazepan-1-yl)-5-nitrophenyl]methylideneamino]-4-methylbenzenesulfonamide Traditional Name: N-[[2-(1,4-diazepan-1-yl)-5-nitro-benzylidene]amino]-4-methyl-benzenesulfonamide Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCNCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCNCC3

InChI

InChI=1S/C19H23N5O4S/c1-15-3-6-18(7-4-15)29(27,28)22-21-14-16-13-17(24(25)26)5-8-19(16)23-11-2-9-20-10-12-23/h3-8,13-14,20,22H,2,9-12H2,1H3