(3S)-3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]azepan-2-one

Systemtic Name: (3S)-3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]azepan-2-one Openeye Name: (3S)-3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]azepan-2-one CAS Name: (3S)-3-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-2-azepanone IUPAC Name: (3S)-3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]azepan-2-one Traditional Name: (3S)-3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]azepan-2-one Formula: C15H24N3O3S2+ MolecularWeight: 358.49936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CC[NH+](CC2)C3CCCCNC3=O

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CC[NH+](CC2)[C@H]3CCCCNC3=O

InChI

InChI=1S/C15H23N3O3S2/c1-12-5-6-14(22-12)23(20,21)18-10-8-17(9-11-18)13-4-2-3-7-16-15(13)19/h5-6,13H,2-4,7-11H2,1H3,(H,16,19)/p+1/t13-/m0/s1