N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-4-nitro-benzamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-4-nitro-benzamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-4-nitro-benzamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-4-nitrobenzamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-nitrobenzamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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