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

Systemtic Name: 2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-5-nitro-benzonitrile CAS Name: 2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-5-nitrobenzonitrile IUPAC Name: 2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-5-nitrobenzonitrile Traditional Name: 2-(4-methyl-3-piperidinosulfonyl-anilino)-5-nitro-benzonitrile Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H20N4O4S/c1-14-5-6-16(12-19(14)28(26,27)22-9-3-2-4-10-22)21-18-8-7-17(23(24)25)11-15(18)13-20/h5-8,11-12,21H,2-4,9-10H2,1H3