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

Systemtic Name: N-(4-ethylsulfonylphenyl)-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide Openeye Name: N-(4-ethylsulfonylphenyl)-2-(4-methyl-1-piperidyl)-5-nitro-benzamide CAS Name: N-(4-ethylsulfonylphenyl)-2-(4-methyl-1-piperidinyl)-5-nitrobenzamide IUPAC Name: N-(4-ethylsulfonylphenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide Traditional Name: N-(4-esylphenyl)-2-(4-methylpiperidino)-5-nitro-benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)C

InChI

InChI=1S/C21H25N3O5S/c1-3-30(28,29)18-7-4-16(5-8-18)22-21(25)19-14-17(24(26)27)6-9-20(19)23-12-10-15(2)11-13-23/h4-9,14-15H,3,10-13H2,1-2H3,(H,22,25)