1-(2,3-dihydro-1H-inden-5-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)propan-1-one

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)propan-1-one Openeye Name: 1-indan-5-yl-2-(4-morpholinosulfonyl-2-nitro-phenoxy)propan-1-one CAS Name: 1-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]-1-propanone IUPAC Name: 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)propan-1-one Traditional Name: 1-indan-5-yl-2-(4-morpholinosulfonyl-2-nitro-phenoxy)propan-1-one Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(CCC2)C=C1)OC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CC2=C(CCC2)C=C1)OC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O7S/c1-15(22(25)18-6-5-16-3-2-4-17(16)13-18)31-21-8-7-19(14-20(21)24(26)27)32(28,29)23-9-11-30-12-10-23/h5-8,13-15H,2-4,9-12H2,1H3