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

Systemtic Name: 1-(4-butan-2-ylphenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanone Openeye Name: 2-(4-morpholinosulfonyl-2-nitro-phenoxy)-1-(4-sec-butylphenyl)ethanone CAS Name: 1-(4-butan-2-ylphenyl)-2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]ethanone IUPAC Name: 1-(4-butan-2-ylphenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)ethanone Traditional Name: 2-(4-morpholinosulfonyl-2-nitro-phenoxy)-1-(4-sec-butylphenyl)ethanone Formula: C22H26N2O7S MolecularWeight: 462.51604

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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)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O7S/c1-3-16(2)17-4-6-18(7-5-17)21(25)15-31-22-9-8-19(14-20(22)24(26)27)32(28,29)23-10-12-30-13-11-23/h4-9,14,16H,3,10-13,15H2,1-2H3