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

Systemtic Name: 4-[2-[(pyridin-2-ylmethylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide hydrochloride Openeye Name: 4-[2-[(2-pyridylmethylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide hydrochloride CAS Name: 4-[2-[(2-pyridinylmethylamino)methyl]phenyl]sulfonyl-2-thiophenesulfonamide hydrochloride IUPAC Name: 4-[2-[(pyridin-2-ylmethylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide hydrochloride Traditional Name: 4-[2-[(2-pyridylmethylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide hydrochloride Formula: C17H18ClN3O4S3 MolecularWeight: 459.99052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNCC2=CC=CC=N2)S(=O)(=O)C3=CSC(=C3)S(=O)(=O)N.Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNCC2=CC=CC=N2)S(=O)(=O)C3=CSC(=C3)S(=O)(=O)N.Cl

InChI

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