4-methylsulfanyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide

Systemtic Name: 4-methylsulfanyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide Openeye Name: 4-methylsulfanyl-N-(4-pyridylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide CAS Name: 4-(methylthio)-3-[oxo(1-pyrrolidinyl)methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide IUPAC Name: 4-methylsulfanyl-N-(pyridin-4-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Traditional Name: 4-(methylthio)-N-(4-pyridylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=NC=C2)C(=O)N3CCCC3

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=NC=C2)C(=O)N3CCCC3

InChI

InChI=1S/C18H21N3O3S2/c1-25-17-5-4-15(12-16(17)18(22)21-10-2-3-11-21)26(23,24)20-13-14-6-8-19-9-7-14/h4-9,12,20H,2-3,10-11,13H2,1H3