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

Systemtic Name: 2-(4-methylpiperidin-1-yl)-N-(3-methylsulfonylpropyl)-5-nitro-benzamide Openeye Name: 2-(4-methyl-1-piperidyl)-N-(3-methylsulfonylpropyl)-5-nitro-benzamide CAS Name: 2-(4-methyl-1-piperidinyl)-N-(3-methylsulfonylpropyl)-5-nitrobenzamide IUPAC Name: 2-(4-methylpiperidin-1-yl)-N-(3-methylsulfonylpropyl)-5-nitrobenzamide Traditional Name: N-(3-mesylpropyl)-2-(4-methylpiperidino)-5-nitro-benzamide Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCCS(=O)(=O)C

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCCS(=O)(=O)C

InChI

InChI=1S/C17H25N3O5S/c1-13-6-9-19(10-7-13)16-5-4-14(20(22)23)12-15(16)17(21)18-8-3-11-26(2,24)25/h4-5,12-13H,3,6-11H2,1-2H3,(H,18,21)