methyl 3-[[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]sulfamoyl]benzoate

Systemtic Name: methyl 3-[[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]sulfamoyl]benzoate Openeye Name: methyl 3-[[(5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]sulfamoyl]benzoate CAS Name: 3-[[[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]sulfamoyl]benzoate Traditional Name: 3-[[(5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]sulfamoyl]benzoic acid methyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NNS(=O)(=O)C3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NNS(=O)(=O)C3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H26N2O5S2/c1-21(2,3)15-8-9-17-14(10-15)12-18(29-17)19(24)22-23-30(26,27)16-7-5-6-13(11-16)20(25)28-4/h5-7,11-12,15,23H,8-10H2,1-4H3,(H,22,24)