5-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]carbonyl-N-cyclopentyl-2-methoxy-benzenesulfonamide

Systemtic Name: 5-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]carbonyl-N-cyclopentyl-2-methoxy-benzenesulfonamide Openeye Name: N-cyclopentyl-5-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-carbonyl]-2-methoxy-benzenesulfonamide CAS Name: N-cyclopentyl-5-[[4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumyl]-oxomethyl]-2-methoxybenzenesulfonamide IUPAC Name: N-cyclopentyl-5-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-carbonyl]-2-methoxybenzenesulfonamide Traditional Name: N-cyclopentyl-5-[4-[(3S)-1,1-diketothiolan-3-yl]piperazin-4-ium-1-carbonyl]-2-methoxy-benzenesulfonamide Formula: C21H32N3O6S2+ MolecularWeight: 486.62528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C3CCS(=O)(=O)C3)S(=O)(=O)NC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)[C@H]3CCS(=O)(=O)C3)S(=O)(=O)NC4CCCC4

InChI

InChI=1S/C21H31N3O6S2/c1-30-19-7-6-16(14-20(19)32(28,29)22-17-4-2-3-5-17)21(25)24-11-9-23(10-12-24)18-8-13-31(26,27)15-18/h6-7,14,17-18,22H,2-5,8-13,15H2,1H3/p+1/t18-/m0/s1