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

Systemtic Name: 4-nitro-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)benzamide Openeye Name: N-[2-isopropoxy-5-(1-piperidylsulfonyl)phenyl]-4-nitro-benzamide CAS Name: 4-nitro-N-[5-(1-piperidinylsulfonyl)-2-propan-2-yloxyphenyl]benzamide IUPAC Name: 4-nitro-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide Traditional Name: N-(2-isopropoxy-5-piperidinosulfonyl-phenyl)-4-nitro-benzamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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