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

Systemtic Name: 4-bromanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-pyrrolidinosulfonyl-benzamide Formula: C20H20BrN3O3S2 MolecularWeight: 494.4251

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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)N4CCCC4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)Br)S(=O)(=O)N4CCCC4)C#N

InChI

InChI=1S/C20H20BrN3O3S2/c21-16-8-7-13(11-18(16)29(26,27)24-9-3-4-10-24)19(25)23-20-15(12-22)14-5-1-2-6-17(14)28-20/h7-8,11H,1-6,9-10H2,(H,23,25)