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

Systemtic Name: 4-(4-methylpiperidin-1-yl)-N-(4-methylsulfonylphenyl)-3-nitro-benzamide Openeye Name: 4-(4-methyl-1-piperidyl)-N-(4-methylsulfonylphenyl)-3-nitro-benzamide CAS Name: 4-(4-methyl-1-piperidinyl)-N-(4-methylsulfonylphenyl)-3-nitrobenzamide IUPAC Name: 4-(4-methylpiperidin-1-yl)-N-(4-methylsulfonylphenyl)-3-nitrobenzamide Traditional Name: N-(4-mesylphenyl)-4-(4-methylpiperidino)-3-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)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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