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

Systemtic Name: 4-[3-[[methyl(2-methylpropyl)amino]methyl]-4-oxidanyl-phenyl]sulfonylthiophene-2-sulfonamide Openeye Name: 4-[4-hydroxy-3-[[isobutyl(methyl)amino]methyl]phenyl]sulfonylthiophene-2-sulfonamide CAS Name: 4-[4-hydroxy-3-[[methyl(2-methylpropyl)amino]methyl]phenyl]sulfonyl-2-thiophenesulfonamide IUPAC Name: 4-[4-hydroxy-3-[[methyl(2-methylpropyl)amino]methyl]phenyl]sulfonylthiophene-2-sulfonamide Traditional Name: 4-[4-hydroxy-3-[[isobutyl(methyl)amino]methyl]phenyl]sulfonylthiophene-2-sulfonamide Formula: C16H22N2O5S3 MolecularWeight: 418.55128

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5S3/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)