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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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