(5S)-N-(2-chloranyl-5-methylsulfonyl-phenyl)sulfonyl-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazonate

Systemtic Name: (5S)-N-(2-chloranyl-5-methylsulfonyl-phenyl)sulfonyl-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazonate Openeye Name: (5S)-N-(2-chloro-5-methylsulfonyl-phenyl)sulfonyl-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazonate CAS Name: (5S)-N-(2-chloro-5-methylsulfonylphenyl)sulfonyl-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazonate IUPAC Name: (5S)-N-(2-chloro-5-methylsulfonylphenyl)sulfonyl-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazonate Traditional Name: (5S)-N-(2-chloro-5-mesyl-phenyl)sulfonyl-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazonate Formula: C18H20ClN2O5S3- MolecularWeight: 476.0098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=NNS(=O)(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl)[O-]

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=NNS(=O)(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl)[O-]

InChI

InChI=1S/C18H21ClN2O5S3/c1-3-11-4-7-15-12(8-11)9-16(27-15)18(22)20-21-29(25,26)17-10-13(28(2,23)24)5-6-14(17)19/h5-6,9-11,21H,3-4,7-8H2,1-2H3,(H,20,22)/p-1/t11-/m0/s1