N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide

Systemtic Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide Openeye Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide CAS Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-(4-thieno[2,3-d]pyrimidinylamino)benzenesulfonamide IUPAC Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide Traditional Name: N-(1-pyrrolin-1-ium-2-yl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide Formula: C16H16N5O2S2+ MolecularWeight: 374.46054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC3=C4C=CSC4=NC=N3

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC3=C4C=CSC4=NC=N3

InChI

InChI=1S/C16H15N5O2S2/c22-25(23,21-14-5-2-7-17-14)12-4-1-3-11(9-12)20-15-13-6-8-24-16(13)19-10-18-15/h1,3-4,6,8-10H,2,5,7H2,(H,17,21)(H,18,19,20)/p+1