2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[[2-(4-isopropylsulfonylphenyl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-(4-propan-2-ylsulfonylphenyl)ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[[2-(4-isopropylsulfonylphenyl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N

InChI

InChI=1S/C21H26N2O4S2/c1-13(2)29(26,27)15-10-8-14(9-11-15)12-18(24)23-21-19(20(22)25)16-6-4-3-5-7-17(16)28-21/h8-11,13H,3-7,12H2,1-2H3,(H2,22,25)(H,23,24)