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

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-morpholinosulfonylphenoxy)ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[4-(4-morpholinylsulfonyl)phenoxy]ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-morpholinosulfonylphenoxy)ethanone Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H26N2O5S/c1-4-9-23-16(2)14-20(17(23)3)21(24)15-28-18-5-7-19(8-6-18)29(25,26)22-10-12-27-13-11-22/h4-8,14H,1,9-13,15H2,2-3H3