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

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(5-morpholinosulfonyl-2-pyridyl)thio]ethanone Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H25N3O4S2/c1-14-11-18(15(2)23(14)16-3-4-16)19(24)13-28-20-6-5-17(12-21-20)29(25,26)22-7-9-27-10-8-22/h5-6,11-12,16H,3-4,7-10,13H2,1-2H3