4-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-3-nitro-benzenecarbonitrile Openeye Name: 3-nitro-4-[[1-(p-tolylsulfonyl)-4-piperidyl]amino]benzonitrile CAS Name: 4-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]amino]-3-nitrobenzonitrile IUPAC Name: 4-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-3-nitrobenzonitrile Traditional Name: 3-nitro-4-[(1-tosyl-4-piperidyl)amino]benzonitrile Formula: C19H20N4O4S MolecularWeight: 400.4515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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