5-ethyl-N'-(3-methylsulfonylphenyl)sulfonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Systemtic Name: 5-ethyl-N'-(3-methylsulfonylphenyl)sulfonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Openeye Name: 5-ethyl-N'-(3-methylsulfonylphenyl)sulfonyl-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide CAS Name: 5-ethyl-N'-(3-methylsulfonylphenyl)sulfonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide IUPAC Name: 5-ethyl-N'-(3-methylsulfonylphenyl)sulfonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Traditional Name: 5-ethyl-N'-(3-mesylphenyl)sulfonyl-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide Formula: C18H22N2O5S3 MolecularWeight: 442.57268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NNS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)C

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)NNS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)C

InChI

InChI=1S/C18H22N2O5S3/c1-3-12-7-8-16-13(9-12)10-17(26-16)18(21)19-20-28(24,25)15-6-4-5-14(11-15)27(2,22)23/h4-6,10-12,20H,3,7-9H2,1-2H3,(H,19,21)