ethyl N-[3-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]carbamate

Systemtic Name: ethyl N-[3-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: ethyl N-[3-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-3-oxopropyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-3-keto-propyl]carbamic acid ethyl ester Formula: C14H20BrN3O5S2 MolecularWeight: 454.3597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NCCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

CCOC(=O)NCCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C14H20BrN3O5S2/c1-2-23-14(20)16-6-5-12(19)17-7-9-18(10-8-17)25(21,22)13-4-3-11(15)24-13/h3-4H,2,5-10H2,1H3,(H,16,20)