4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonylthiophene-2-sulfonamide hydrochloride

Systemtic Name: 4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonylthiophene-2-sulfonamide hydrochloride Openeye Name: 4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonylthiophene-2-sulfonamide hydrochloride CAS Name: 4-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]sulfonyl-2-thiophenesulfonamide hydrochloride IUPAC Name: 4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonylthiophene-2-sulfonamide hydrochloride Traditional Name: 4-[4-[(4-methylpiperazino)methyl]phenyl]sulfonylthiophene-2-sulfonamide hydrochloride Formula: C16H22ClN3O4S3 MolecularWeight: 452.01158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(C=C2)S(=O)(=O)C3=CSC(=C3)S(=O)(=O)N.Cl

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)S(=O)(=O)C3=CSC(=C3)S(=O)(=O)N.Cl

InChI

InChI=1S/C16H21N3O4S3.ClH/c1-18-6-8-19(9-7-18)11-13-2-4-14(5-3-13)25(20,21)15-10-16(24-12-15)26(17,22)23;/h2-5,10,12H,6-9,11H2,1H3,(H2,17,22,23);1H