2-(4-methylpiperidin-1-yl)-N-(3-methylsulfonylphenyl)-5-nitro-benzamide

Systemtic Name: 2-(4-methylpiperidin-1-yl)-N-(3-methylsulfonylphenyl)-5-nitro-benzamide Openeye Name: 2-(4-methyl-1-piperidyl)-N-(3-methylsulfonylphenyl)-5-nitro-benzamide CAS Name: 2-(4-methyl-1-piperidinyl)-N-(3-methylsulfonylphenyl)-5-nitrobenzamide IUPAC Name: 2-(4-methylpiperidin-1-yl)-N-(3-methylsulfonylphenyl)-5-nitrobenzamide Traditional Name: N-(3-mesylphenyl)-2-(4-methylpiperidino)-5-nitro-benzamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H23N3O5S/c1-14-8-10-22(11-9-14)19-7-6-16(23(25)26)13-18(19)20(24)21-15-4-3-5-17(12-15)29(2,27)28/h3-7,12-14H,8-11H2,1-2H3,(H,21,24)