2-[(2-methylsulfonylphenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-[(2-methylsulfonylphenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[(2-methylsulfonylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[(2-methylsulfonylphenyl)-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[(2-methylsulfonylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[(2-mesylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N

InChI

InChI=1S/C18H20N2O4S2/c1-26(23,24)14-10-6-5-8-12(14)17(22)20-18-15(16(19)21)11-7-3-2-4-9-13(11)25-18/h5-6,8,10H,2-4,7,9H2,1H3,(H2,19,21)(H,20,22)