3-[[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]sulfamoyl]benzenesulfonamide

Systemtic Name: 3-[[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]sulfamoyl]benzenesulfonamide Openeye Name: 3-[[[(5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]sulfamoyl]benzenesulfonamide CAS Name: 3-[[[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-oxomethyl]amino]sulfamoyl]benzenesulfonamide IUPAC Name: 3-[[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]sulfamoyl]benzenesulfonamide Traditional Name: 3-[[[(5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]sulfamoyl]benzenesulfonamide Formula: C16H19N3O5S3 MolecularWeight: 429.53416

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NNS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)NNS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C16H19N3O5S3/c1-10-5-6-14-11(7-10)8-15(25-14)16(20)18-19-27(23,24)13-4-2-3-12(9-13)26(17,21)22/h2-4,8-10,19H,5-7H2,1H3,(H,18,20)(H2,17,21,22)/t10-/m0/s1