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

Systemtic Name: 4-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]amino]-3-nitro-benzonitrile CAS Name: 4-[[1-(4-methoxyphenyl)sulfonyl-4-piperidinyl]amino]-3-nitrobenzonitrile IUPAC Name: 4-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-3-nitrobenzonitrile Traditional Name: 4-[[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]amino]-3-nitro-benzonitrile Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c1-28-16-3-5-17(6-4-16)29(26,27)22-10-8-15(9-11-22)21-18-7-2-14(13-20)12-19(18)23(24)25/h2-7,12,15,21H,8-11H2,1H3