1-[(3S,4R)-4-(4-methoxy-3-methyl-phenyl)sulfonyl-1,1-bis(oxidanylidene)thiolan-3-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3S,4R)-4-(4-methoxy-3-methyl-phenyl)sulfonyl-1,1-bis(oxidanylidene)thiolan-3-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3S,4R)-4-(4-methoxy-3-methyl-phenyl)sulfonyl-1,1-dioxo-thiolan-3-yl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3S,4R)-4-(4-methoxy-3-methylphenyl)sulfonyl-1,1-dioxo-3-thiolanyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3S,4R)-4-(4-methoxy-3-methylphenyl)sulfonyl-1,1-dioxothiolan-3-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3S,4R)-1,1-diketo-4-(4-methoxy-3-methyl-phenyl)sulfonyl-thiolan-3-yl]piperidin-1-ium-4-carboxamide Formula: C18H27N2O6S2+ MolecularWeight: 431.54678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)C2CS(=O)(=O)CC2[NH+]3CCC(CC3)C(=O)N)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH+]3CCC(CC3)C(=O)N)OC

InChI

InChI=1S/C18H26N2O6S2/c1-12-9-14(3-4-16(12)26-2)28(24,25)17-11-27(22,23)10-15(17)20-7-5-13(6-8-20)18(19)21/h3-4,9,13,15,17H,5-8,10-11H2,1-2H3,(H2,19,21)/p+1/t15-,17-/m0/s1