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

Systemtic Name: N-aminocarbonyl-2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide Openeye Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-N-carbamoyl-propanamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-N-carbamoylpropanamide IUPAC Name: 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-carbamoylpropanamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-N-carbamoyl-propionamide Formula: C12H17BrN4O4S2 MolecularWeight: 425.32178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

CC(C(=O)NC(=O)N)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C12H17BrN4O4S2/c1-8(11(18)15-12(14)19)16-4-6-17(7-5-16)23(20,21)10-3-2-9(13)22-10/h2-3,8H,4-7H2,1H3,(H3,14,15,18,19)