2-(4-methylpiperazin-1-yl)sulfonyl-4-nitro-N-[(E)-(phenylmethylidene)amino]aniline

Systemtic Name: 2-(4-methylpiperazin-1-yl)sulfonyl-4-nitro-N-[(E)-(phenylmethylidene)amino]aniline Openeye Name: N-[(E)-benzylideneamino]-2-(4-methylpiperazin-1-yl)sulfonyl-4-nitro-aniline CAS Name: 2-[(4-methyl-1-piperazinyl)sulfonyl]-4-nitro-N-[(E)-(phenylmethylene)amino]aniline IUPAC Name: N-[(E)-benzylideneamino]-2-(4-methylpiperazin-1-yl)sulfonyl-4-nitroaniline Traditional Name: [(E)-benzalamino]-[2-(4-methylpiperazino)sulfonyl-4-nitro-phenyl]amine Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NN=CC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N/N=C/C3=CC=CC=C3

InChI

InChI=1S/C18H21N5O4S/c1-21-9-11-22(12-10-21)28(26,27)18-13-16(23(24)25)7-8-17(18)20-19-14-15-5-3-2-4-6-15/h2-8,13-14,20H,9-12H2,1H3/b19-14+