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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-methyl-3-pyrrolidinosulfonyl-benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23N3O3S2/c1-14-8-9-15(12-19(14)29(26,27)24-10-4-5-11-24)20(25)23-21-17(13-22)16-6-2-3-7-18(16)28-21/h8-9,12H,2-7,10-11H2,1H3,(H,23,25)