3-chloranyl-4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]benzenecarbonitrile Openeye Name: 3-chloro-4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]benzonitrile CAS Name: 3-chloro-4-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenoxy]benzonitrile IUPAC Name: 3-chloro-4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenoxy]benzonitrile Traditional Name: 3-chloro-4-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenoxy]benzonitrile Formula: C18H17ClN4O5S MolecularWeight: 436.86938

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)C#N)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)C#N)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN4O5S/c1-21-6-8-22(9-7-21)29(26,27)14-3-5-18(16(11-14)23(24)25)28-17-4-2-13(12-20)10-15(17)19/h2-5,10-11H,6-9H2,1H3