2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(1-methylsulfonyl-4-piperidyl)amino]-5-nitro-benzonitrile CAS Name: 2-[(1-methylsulfonyl-4-piperidinyl)amino]-5-nitrobenzonitrile IUPAC Name: 2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-nitrobenzonitrile Traditional Name: 2-[(1-mesyl-4-piperidyl)amino]-5-nitro-benzonitrile Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H16N4O4S/c1-22(20,21)16-6-4-11(5-7-16)15-13-3-2-12(17(18)19)8-10(13)9-14/h2-3,8,11,15H,4-7H2,1H3