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

Systemtic Name: (5S)-N'-(2-chloranyl-5-methylsulfonyl-phenyl)sulfonyl-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Openeye Name: (5S)-N'-(2-chloro-5-methylsulfonyl-phenyl)sulfonyl-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide CAS Name: (5S)-N'-(2-chloro-5-methylsulfonylphenyl)sulfonyl-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide IUPAC Name: (5S)-N'-(2-chloro-5-methylsulfonylphenyl)sulfonyl-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Traditional Name: (5S)-N'-(2-chloro-5-mesyl-phenyl)sulfonyl-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide Formula: C18H21ClN2O5S3 MolecularWeight: 477.01774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/t11-/m0/s1