1-(2,3-dihydroindol-1-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-1-one

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-1-one Openeye Name: 1-indolin-1-yl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-1-one CAS Name: 1-(2,3-dihydroindol-1-yl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-propanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propan-1-one Traditional Name: 1-indolin-1-yl-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propan-1-one Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C21)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6S/c1-15(21(25)23-13-10-16-6-2-3-7-18(16)23)30-20-9-8-17(14-19(20)24(26)27)31(28,29)22-11-4-5-12-22/h2-3,6-9,14-15H,4-5,10-13H2,1H3