1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone Openeye Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-morpholinosulfonylphenoxy)ethanone CAS Name: 1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-[4-(4-morpholinylsulfonyl)phenoxy]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone Traditional Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-morpholinosulfonylphenoxy)ethanone Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H28N2O5S/c1-15(2)23-16(3)13-20(17(23)4)21(24)14-28-18-5-7-19(8-6-18)29(25,26)22-9-11-27-12-10-22/h5-8,13,15H,9-12,14H2,1-4H3