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

Systemtic Name: 4-bromanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: 4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-piperidinosulfonyl-benzamide Formula: C21H22BrN3O3S2 MolecularWeight: 508.45168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)Br

InChI

InChI=1S/C21H22BrN3O3S2/c22-17-9-8-14(12-19(17)30(27,28)25-10-4-1-5-11-25)20(26)24-21-16(13-23)15-6-2-3-7-18(15)29-21/h8-9,12H,1-7,10-11H2,(H,24,26)