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

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-1-one Openeye Name: 1-indan-5-yl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-1-one CAS Name: 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-propanone IUPAC Name: 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propan-1-one Traditional Name: 1-indan-5-yl-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propan-1-one Formula: C22H24N2O6S MolecularWeight: 444.50076

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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)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CC2=C(CCC2)C=C1)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O6S/c1-15(22(25)18-8-7-16-5-4-6-17(16)13-18)30-21-10-9-19(14-20(21)24(26)27)31(28,29)23-11-2-3-12-23/h7-10,13-15H,2-6,11-12H2,1H3