[1-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]propyl ester Formula: C25H28N4O5S2 MolecularWeight: 528.64362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C)OC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C)OC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C25H28N4O5S2/c1-4-20(34-24(31)22-14-17-7-5-6-8-21(17)35-22)23(30)28-18-9-11-19(12-10-18)36(32,33)29-25-26-15(2)13-16(3)27-25/h9-14,20H,4-8H2,1-3H3,(H,28,30)(H,26,27,29)