(5-methylsulfonyl-2-propan-2-yloxy-phenyl)-[4-(4-nitrophenoxy)piperidin-1-yl]methanone

Systemtic Name: (5-methylsulfonyl-2-propan-2-yloxy-phenyl)-[4-(4-nitrophenoxy)piperidin-1-yl]methanone Openeye Name: (2-isopropoxy-5-methylsulfonyl-phenyl)-[4-(4-nitrophenoxy)-1-piperidyl]methanone CAS Name: (5-methylsulfonyl-2-propan-2-yloxyphenyl)-[4-(4-nitrophenoxy)-1-piperidinyl]methanone IUPAC Name: (5-methylsulfonyl-2-propan-2-yloxyphenyl)-[4-(4-nitrophenoxy)piperidin-1-yl]methanone Traditional Name: (2-isopropoxy-5-mesyl-phenyl)-[4-(4-nitrophenoxy)piperidino]methanone Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCC(CC2)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCC(CC2)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O7S/c1-15(2)30-21-9-8-19(32(3,28)29)14-20(21)22(25)23-12-10-18(11-13-23)31-17-6-4-16(5-7-17)24(26)27/h4-9,14-15,18H,10-13H2,1-3H3