3-methyl-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-nitro-benzamide

Systemtic Name: 3-methyl-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-nitro-benzamide Openeye Name: 3-methyl-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-2-nitro-benzamide CAS Name: 3-methyl-N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2-nitrobenzamide IUPAC Name: 3-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-nitrobenzamide Traditional Name: 3-methyl-N-(4-methyl-3-piperidinosulfonyl-phenyl)-2-nitro-benzamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)C)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)C)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H23N3O5S/c1-14-9-10-16(13-18(14)29(27,28)22-11-4-3-5-12-22)21-20(24)17-8-6-7-15(2)19(17)23(25)26/h6-10,13H,3-5,11-12H2,1-2H3,(H,21,24)