1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-(2,5-dimethylphenyl)sulfanyl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-(2,5-dimethylphenyl)sulfanyl-ethanone Openeye Name: 1-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-(2,5-dimethylphenyl)sulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]-2-[(2,5-dimethylphenyl)thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-(2,5-dimethylphenyl)sulfanylethanone Traditional Name: 1-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-[(2,5-dimethylphenyl)thio]ethanone Formula: C26H30N2O4S2 MolecularWeight: 498.6574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)C2=C(N(C(=C2)C)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)C2=C(N(C(=C2)C)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C26H30N2O4S2/c1-18-8-9-19(2)26(14-18)33-17-25(29)24-15-20(3)28(21(24)4)22-6-5-7-23(16-22)34(30,31)27-10-12-32-13-11-27/h5-9,14-16H,10-13,17H2,1-4H3