3-[1,1-bis(oxidanylidene)thiolan-3-yl]sulfonyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

Systemtic Name: 3-[1,1-bis(oxidanylidene)thiolan-3-yl]sulfonyl-N-(pyridin-4-ylmethyl)benzenesulfonamide Openeye Name: 3-(1,1-dioxothiolan-3-yl)sulfonyl-N-(4-pyridylmethyl)benzenesulfonamide CAS Name: 3-[(1,1-dioxo-3-thiolanyl)sulfonyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide IUPAC Name: 3-(1,1-dioxothiolan-3-yl)sulfonyl-N-(pyridin-4-ylmethyl)benzenesulfonamide Traditional Name: 3-(1,1-diketothiolan-3-yl)sulfonyl-N-(4-pyridylmethyl)benzenesulfonamide Formula: C16H18N2O6S3 MolecularWeight: 430.51892

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=NC=C3

Isomeric SMILES

C1CS(=O)(=O)CC1S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C16H18N2O6S3/c19-25(20)9-6-16(12-25)26(21,22)14-2-1-3-15(10-14)27(23,24)18-11-13-4-7-17-8-5-13/h1-5,7-8,10,16,18H,6,9,11-12H2