N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(5-ethylsulfonyl-2-hydroxy-phenyl)-4-[(3R)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-[(3R)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-(5-esyl-2-hydroxy-phenyl)-4-[(3R)-3-methylpiperidino]-3-nitro-benzamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=CC(=C(C=C2)N3CCC[C@H](C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c1-3-31(29,30)16-7-9-20(25)17(12-16)22-21(26)15-6-8-18(19(11-15)24(27)28)23-10-4-5-14(2)13-23/h6-9,11-12,14,25H,3-5,10,13H2,1-2H3,(H,22,26)/t14-/m1/s1