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

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-nitro-benzamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-2-nitro-benzamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2-nitrobenzamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-nitrobenzamide Traditional Name: N-(4-methyl-3-piperidinosulfonyl-phenyl)-2-nitro-benzamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-14-9-10-15(13-18(14)28(26,27)21-11-5-2-6-12-21)20-19(23)16-7-3-4-8-17(16)22(24)25/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,20,23)