N-(2-methyl-5-methylsulfonyl-phenyl)-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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