2-chloranyl-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-morpholinosulfonyl-benzamide CAS Name: 2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-morpholinosulfonyl-benzamide Formula: C21H22ClN3O4S2 MolecularWeight: 480.00008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl

InChI

InChI=1S/C21H22ClN3O4S2/c22-18-7-6-14(31(27,28)25-8-10-29-11-9-25)12-16(18)20(26)24-21-17(13-23)15-4-2-1-3-5-19(15)30-21/h6-7,12H,1-5,8-11H2,(H,24,26)