1-(4-butan-2-ylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone

Systemtic Name: 1-(4-butan-2-ylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone Openeye Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-(4-sec-butylphenyl)ethanone CAS Name: 1-(4-butan-2-ylphenyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]ethanone IUPAC Name: 1-(4-butan-2-ylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-1-(4-sec-butylphenyl)ethanone Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O6S/c1-3-16(2)17-6-8-18(9-7-17)21(25)15-30-22-11-10-19(14-20(22)24(26)27)31(28,29)23-12-4-5-13-23/h6-11,14,16H,3-5,12-13,15H2,1-2H3