N-[4-chloranyl-3-[(3R)-1-methylpyrrolidin-3-yl]oxy-phenyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[4-chloranyl-3-[(3R)-1-methylpyrrolidin-3-yl]oxy-phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxy-phenyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[4-chloro-3-[[(3R)-1-methyl-3-pyrrolidinyl]oxy]phenyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxy-phenyl]piazthiole-4-sulfonamide Formula: C17H17ClN4O3S2 MolecularWeight: 424.92488

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)OC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43)Cl

Isomeric SMILES

CN1CC[C@H](C1)OC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43)Cl

InChI

InChI=1S/C17H17ClN4O3S2/c1-22-8-7-12(10-22)25-15-9-11(5-6-13(15)18)21-27(23,24)16-4-2-3-14-17(16)20-26-19-14/h2-6,9,12,21H,7-8,10H2,1H3/t12-/m1/s1