3-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide

Systemtic Name: 3-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: 3-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-N-(3-cyano-2-thienyl)propanamide CAS Name: 3-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 3-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 3-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-N-(3-cyano-2-thienyl)propionamide Formula: C16H17BrN4O3S3 MolecularWeight: 489.43018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=C(C=CS2)C#N)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=C(C=CS2)C#N)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H17BrN4O3S3/c17-13-1-2-15(26-13)27(23,24)21-8-6-20(7-9-21)5-3-14(22)19-16-12(11-18)4-10-25-16/h1-2,4,10H,3,5-9H2,(H,19,22)