2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-methoxy-3-(1-piperidylsulfonyl)anilino]-5-nitro-benzonitrile CAS Name: 2-[4-methoxy-3-(1-piperidinylsulfonyl)anilino]-5-nitrobenzonitrile IUPAC Name: 2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-5-nitrobenzonitrile Traditional Name: 2-(4-methoxy-3-piperidinosulfonyl-anilino)-5-nitro-benzonitrile Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H20N4O5S/c1-28-18-8-5-15(12-19(18)29(26,27)22-9-3-2-4-10-22)21-17-7-6-16(23(24)25)11-14(17)13-20/h5-8,11-12,21H,2-4,9-10H2,1H3