1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(5-morpholinosulfonyl-2-pyridyl)thio]ethanone Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H29N3O4S2/c1-19-16-23(20(2)28(19)11-10-21-6-4-3-5-7-21)24(29)18-33-25-9-8-22(17-26-25)34(30,31)27-12-14-32-15-13-27/h3-9,16-17H,10-15,18H2,1-2H3