methyl 2-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(3-chloro-4-methoxy-phenyl)sulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-chloro-4-methoxy-phenyl)sulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H18ClNO5S2 MolecularWeight: 415.91152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Cl

InChI

InChI=1S/C17H18ClNO5S2/c1-23-13-8-7-10(9-12(13)18)26(21,22)19-16-15(17(20)24-2)11-5-3-4-6-14(11)25-16/h7-9,19H,3-6H2,1-2H3