methyl 2-(naphthalen-2-ylsulfonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(naphthalen-2-ylsulfonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(2-naphthylsulfonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(2-naphthalenylsulfonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(naphthalen-2-ylsulfonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(2-naphthylsulfonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H19NO4S2 MolecularWeight: 401.49916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H19NO4S2/c1-25-20(22)18-16-8-4-5-9-17(16)26-19(18)21-27(23,24)15-11-10-13-6-2-3-7-14(13)12-15/h2-3,6-7,10-12,21H,4-5,8-9H2,1H3