N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-nitro-benzamide

Systemtic Name: N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-nitro-benzamide Openeye Name: N-[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]-3-methyl-4-nitro-benzamide CAS Name: N-[2-ethoxy-5-(1-piperidinylsulfonyl)phenyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methyl-4-nitrobenzamide Traditional Name: N-(2-ethoxy-5-piperidinosulfonyl-phenyl)-3-methyl-4-nitro-benzamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O6S/c1-3-30-20-10-8-17(31(28,29)23-11-5-4-6-12-23)14-18(20)22-21(25)16-7-9-19(24(26)27)15(2)13-16/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,25)