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

Systemtic Name: 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 5-nitro-2-[[1-(p-tolylsulfonyl)-4-piperidyl]amino]benzonitrile CAS Name: 2-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-5-nitrobenzonitrile Traditional Name: 5-nitro-2-[(1-tosyl-4-piperidyl)amino]benzonitrile Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H20N4O4S/c1-14-2-5-18(6-3-14)28(26,27)22-10-8-16(9-11-22)21-19-7-4-17(23(24)25)12-15(19)13-20/h2-7,12,16,21H,8-11H2,1H3