3-(azepan-1-ylsulfonyl)-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(3-cyano-4,5-dimethyl-2-thienyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(3-cyano-4,5-dimethyl-2-thiophenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(3-cyano-4,5-dimethyl-2-thienyl)benzamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C20H23N3O3S2/c1-14-15(2)27-20(18(14)13-21)22-19(24)16-8-7-9-17(12-16)28(25,26)23-10-5-3-4-6-11-23/h7-9,12H,3-6,10-11H2,1-2H3,(H,22,24)