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

Systemtic Name: 3-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: 3-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3-cyano-2-thienyl)propanamide CAS Name: 3-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 3-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 3-[4-(3-bromophenyl)sulfonylpiperazino]-N-(3-cyano-2-thienyl)propionamide Formula: C18H19BrN4O3S2 MolecularWeight: 483.40246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN4O3S2/c19-15-2-1-3-16(12-15)28(25,26)23-9-7-22(8-10-23)6-4-17(24)21-18-14(13-20)5-11-27-18/h1-3,5,11-12H,4,6-10H2,(H,21,24)