(2R)-1-(azepan-1-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (2R)-1-(azepan-1-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2R)-1-(azepan-1-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2R)-1-(1-azepanyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)-1-propanone IUPAC Name: (2R)-1-(azepan-1-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2R)-1-(azepan-1-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propan-1-one Formula: C17H28N3O3S2+ MolecularWeight: 386.55252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H27N3O3S2/c1-15(17(21)19-8-4-2-3-5-9-19)18-10-12-20(13-11-18)25(22,23)16-7-6-14-24-16/h6-7,14-15H,2-5,8-13H2,1H3/p+1/t15-/m1/s1