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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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