5-[3-[(2-methylpropylamino)methyl]-4-oxidanyl-phenyl]sulfonylthiophene-2-sulfonamide

Systemtic Name: 5-[3-[(2-methylpropylamino)methyl]-4-oxidanyl-phenyl]sulfonylthiophene-2-sulfonamide Openeye Name: 5-[4-hydroxy-3-[(isobutylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide CAS Name: 5-[4-hydroxy-3-[(2-methylpropylamino)methyl]phenyl]sulfonyl-2-thiophenesulfonamide IUPAC Name: 5-[4-hydroxy-3-[(2-methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide Traditional Name: 5-[4-hydroxy-3-[(isobutylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide Formula: C15H20N2O5S3 MolecularWeight: 404.5247

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=C(C=CC(=C1)S(=O)(=O)C2=CC=C(S2)S(=O)(=O)N)O

Isomeric SMILES

CC(C)CNCC1=C(C=CC(=C1)S(=O)(=O)C2=CC=C(S2)S(=O)(=O)N)O

InChI

InChI=1S/C15H20N2O5S3/c1-10(2)8-17-9-11-7-12(3-4-13(11)18)24(19,20)14-5-6-15(23-14)25(16,21)22/h3-7,10,17-18H,8-9H2,1-2H3,(H2,16,21,22)