2-(azepan-1-ium-1-yl)-1-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(azepan-1-ium-1-yl)-1-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(azepan-1-ium-1-yl)-1-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]ethanone CAS Name: 2-(1-azepan-1-iumyl)-1-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]ethanone IUPAC Name: 2-(azepan-1-ium-1-yl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(azepan-1-ium-1-yl)-1-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]ethanone Formula: C16H25ClN3O3S2+ MolecularWeight: 406.971

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H24ClN3O3S2/c17-14-5-6-16(24-14)25(22,23)20-11-9-19(10-12-20)15(21)13-18-7-3-1-2-4-8-18/h5-6H,1-4,7-13H2/p+1