3-[3-[3-(dimethylaminomethyl)-4-oxidanyl-phenyl]propylsulfonyl]thiophene-2-sulfonamide

Systemtic Name: 3-[3-[3-(dimethylaminomethyl)-4-oxidanyl-phenyl]propylsulfonyl]thiophene-2-sulfonamide Openeye Name: 3-[3-[3-(dimethylaminomethyl)-4-hydroxy-phenyl]propylsulfonyl]thiophene-2-sulfonamide CAS Name: 3-[3-[3-(dimethylaminomethyl)-4-hydroxyphenyl]propylsulfonyl]-2-thiophenesulfonamide IUPAC Name: 3-[3-[3-(dimethylaminomethyl)-4-hydroxyphenyl]propylsulfonyl]thiophene-2-sulfonamide Traditional Name: 3-[3-[3-(dimethylaminomethyl)-4-hydroxy-phenyl]propylsulfonyl]thiophene-2-sulfonamide Formula: C16H22N2O5S3 MolecularWeight: 418.55128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5S3/c1-18(2)11-13-10-12(5-6-14(13)19)4-3-9-25(20,21)15-7-8-24-16(15)26(17,22)23/h5-8,10,19H,3-4,9,11H2,1-2H3,(H2,17,22,23)