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

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-3-nitro-benzamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-3-nitro-benzamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-3-nitrobenzamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-nitrobenzamide Traditional Name: N-(4-methoxy-3-piperidinosulfonyl-phenyl)-3-nitro-benzamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H21N3O6S/c1-28-17-9-8-15(13-18(17)29(26,27)21-10-3-2-4-11-21)20-19(23)14-6-5-7-16(12-14)22(24)25/h5-9,12-13H,2-4,10-11H2,1H3,(H,20,23)