4-bromanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: 4-bromanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: 4-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-morpholinosulfonyl-benzamide CAS Name: 4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: 4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylsulfonylbenzamide Traditional Name: 4-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-morpholinosulfonyl-benzamide Formula: C20H20BrN3O4S2 MolecularWeight: 510.4245

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)Br)S(=O)(=O)N4CCOCC4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)Br)S(=O)(=O)N4CCOCC4)C#N

InChI

InChI=1S/C20H20BrN3O4S2/c21-16-6-5-13(11-18(16)30(26,27)24-7-9-28-10-8-24)19(25)23-20-15(12-22)14-3-1-2-4-17(14)29-20/h5-6,11H,1-4,7-10H2,(H,23,25)