N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)sulfonyl-4-nitro-aniline

Systemtic Name: N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)sulfonyl-4-nitro-aniline Openeye Name: N-[(E)-(4-chlorophenyl)methyleneamino]-2-(4-methylpiperazin-1-yl)sulfonyl-4-nitro-aniline CAS Name: N-[(E)-(4-chlorophenyl)methylideneamino]-2-[(4-methyl-1-piperazinyl)sulfonyl]-4-nitroaniline IUPAC Name: N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)sulfonyl-4-nitroaniline Traditional Name: [(E)-(4-chlorobenzylidene)amino]-[2-(4-methylpiperazino)sulfonyl-4-nitro-phenyl]amine Formula: C18H20ClN5O4S MolecularWeight: 437.9005

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN5O4S/c1-22-8-10-23(11-9-22)29(27,28)18-12-16(24(25)26)6-7-17(18)21-20-13-14-2-4-15(19)5-3-14/h2-7,12-13,21H,8-11H2,1H3/b20-13+