1-(azepan-1-yl)-2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]propan-1-one CAS Name: 1-(1-azepanyl)-2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 1-(azepan-1-yl)-2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]propan-1-one Formula: C17H26BrN3O3S2 MolecularWeight: 464.44064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC(C(=O)N1CCCCCC1)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H26BrN3O3S2/c1-14(17(22)20-8-4-2-3-5-9-20)19-10-12-21(13-11-19)26(23,24)16-7-6-15(18)25-16/h6-7,14H,2-5,8-13H2,1H3