N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzamide Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C22H24N4O4S2/c1-15(27)25-9-11-26(12-10-25)32(29,30)17-6-4-5-16(13-17)21(28)24-22-19(14-23)18-7-2-3-8-20(18)31-22/h4-6,13H,2-3,7-12H2,1H3,(H,24,28)