cycloheptyl-[2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: cycloheptyl-[2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-cycloheptyl-methyl-ammonium CAS Name: [2-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-cycloheptyl-methylammonium IUPAC Name: [2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-cycloheptyl-methylazanium Traditional Name: [2-[4-(4-acetylphenyl)sulfonylpiperazino]-2-keto-ethyl]-cycloheptyl-methyl-ammonium Formula: C22H34N3O4S+ MolecularWeight: 436.58806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)C3CCCCCC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)C3CCCCCC3

InChI

InChI=1S/C22H33N3O4S/c1-18(26)19-9-11-21(12-10-19)30(28,29)25-15-13-24(14-16-25)22(27)17-23(2)20-7-5-3-4-6-8-20/h9-12,20H,3-8,13-17H2,1-2H3/p+1