4-[3-[[methyl(2-methylpropyl)amino]methyl]-4-oxidanyl-phenyl]sulfonylthiophene-2-sulfonamide hydrochloride

Systemtic Name: 4-[3-[[methyl(2-methylpropyl)amino]methyl]-4-oxidanyl-phenyl]sulfonylthiophene-2-sulfonamide hydrochloride Openeye Name: 4-[4-hydroxy-3-[[isobutyl(methyl)amino]methyl]phenyl]sulfonylthiophene-2-sulfonamide hydrochloride CAS Name: 4-[4-hydroxy-3-[[methyl(2-methylpropyl)amino]methyl]phenyl]sulfonyl-2-thiophenesulfonamide hydrochloride IUPAC Name: 4-[4-hydroxy-3-[[methyl(2-methylpropyl)amino]methyl]phenyl]sulfonylthiophene-2-sulfonamide hydrochloride Traditional Name: 4-[4-hydroxy-3-[[isobutyl(methyl)amino]methyl]phenyl]sulfonylthiophene-2-sulfonamide hydrochloride Formula: C16H23ClN2O5S3 MolecularWeight: 455.01222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C)CC1=C(C=CC(=C1)S(=O)(=O)C2=CSC(=C2)S(=O)(=O)N)O.Cl

Isomeric SMILES

CC(C)CN(C)CC1=C(C=CC(=C1)S(=O)(=O)C2=CSC(=C2)S(=O)(=O)N)O.Cl

InChI

InChI=1S/C16H22N2O5S3.ClH/c1-11(2)8-18(3)9-12-6-13(4-5-15(12)19)25(20,21)14-7-16(24-10-14)26(17,22)23;/h4-7,10-11,19H,8-9H2,1-3H3,(H2,17,22,23);1H