3-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide dihydrochloride

Systemtic Name: 3-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide dihydrochloride Openeye Name: 3-[4-[(2-pyridylmethylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide dihydrochloride CAS Name: 3-[4-[(2-pyridinylmethylamino)methyl]phenyl]sulfonyl-2-thiophenesulfonamide dihydrochloride IUPAC Name: 3-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide dihydrochloride Traditional Name: 3-[4-[(2-pyridylmethylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide dihydrochloride Formula: C17H19Cl2N3O4S3 MolecularWeight: 496.45146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNCC2=CC=C(C=C2)S(=O)(=O)C3=C(SC=C3)S(=O)(=O)N.Cl.Cl

Isomeric SMILES

C1=CC=NC(=C1)CNCC2=CC=C(C=C2)S(=O)(=O)C3=C(SC=C3)S(=O)(=O)N.Cl.Cl

InChI

InChI=1S/C17H17N3O4S3.2ClH/c18-27(23,24)17-16(8-10-25-17)26(21,22)15-6-4-13(5-7-15)11-19-12-14-3-1-2-9-20-14;;/h1-10,19H,11-12H2,(H2,18,23,24);2*1H