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

Systemtic Name: (3S)-3-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]azepan-2-one Openeye Name: (3S)-3-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]azepan-2-one CAS Name: (3S)-3-[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-2-azepanone IUPAC Name: (3S)-3-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]azepan-2-one Traditional Name: (3S)-3-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]azepan-2-one Formula: C18H26N3O4S+ MolecularWeight: 380.48174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3CCCCNC3=O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H]3CCCCNC3=O

InChI

InChI=1S/C18H25N3O4S/c1-14(22)15-5-7-16(8-6-15)26(24,25)21-12-10-20(11-13-21)17-4-2-3-9-19-18(17)23/h5-8,17H,2-4,9-13H2,1H3,(H,19,23)/p+1/t17-/m0/s1