3-nitro-4-[[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]methyl]benzamide

Systemtic Name: 3-nitro-4-[[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]methyl]benzamide Openeye Name: 4-[[2-isopropoxy-5-(1-piperidylsulfonyl)anilino]methyl]-3-nitro-benzamide CAS Name: 3-nitro-4-[[5-(1-piperidinylsulfonyl)-2-propan-2-yloxyanilino]methyl]benzamide IUPAC Name: 3-nitro-4-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyanilino)methyl]benzamide Traditional Name: 4-[(2-isopropoxy-5-piperidinosulfonyl-anilino)methyl]-3-nitro-benzamide Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O6S/c1-15(2)32-21-9-8-18(33(30,31)25-10-4-3-5-11-25)13-19(21)24-14-17-7-6-16(22(23)27)12-20(17)26(28)29/h6-9,12-13,15,24H,3-5,10-11,14H2,1-2H3,(H2,23,27)