N-(2-methyl-5-nitro-phenyl)-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-3-(1-piperidylsulfonyl)benzamide CAS Name: N-(2-methyl-5-nitrophenyl)-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-3-piperidinosulfonyl-benzamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-14-8-9-16(22(24)25)13-18(14)20-19(23)15-6-5-7-17(12-15)28(26,27)21-10-3-2-4-11-21/h5-9,12-13H,2-4,10-11H2,1H3,(H,20,23)