1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone

Systemtic Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone Openeye Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone CAS Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]ethanone IUPAC Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone Traditional Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)ethanone Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N3CCCC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N3CCCC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6S/c25-21(23-13-5-7-16-6-1-2-8-18(16)23)15-30-20-10-9-17(14-19(20)24(26)27)31(28,29)22-11-3-4-12-22/h1-2,6,8-10,14H,3-5,7,11-13,15H2