6-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-N,N-diethyl-pyridine-3-sulfonamide

Systemtic Name: 6-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-N,N-diethyl-pyridine-3-sulfonamide Openeye Name: 6-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-N,N-diethyl-pyridine-3-sulfonamide CAS Name: 6-[[2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-N,N-diethyl-3-pyridinesulfonamide IUPAC Name: 6-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-N,N-diethylpyridine-3-sulfonamide Traditional Name: 6-[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-N,N-diethyl-pyridine-3-sulfonamide Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)SCC(=O)C2=C(N(C(=C2)C)C3CC3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)SCC(=O)C2=C(N(C(=C2)C)C3CC3)C

InChI

InChI=1S/C20H27N3O3S2/c1-5-22(6-2)28(25,26)17-9-10-20(21-12-17)27-13-19(24)18-11-14(3)23(15(18)4)16-7-8-16/h9-12,16H,5-8,13H2,1-4H3