1-[(3S,4R)-4-(2-methoxy-5-methyl-phenyl)sulfonyl-1,1-bis(oxidanylidene)thiolan-3-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3S,4R)-4-(2-methoxy-5-methyl-phenyl)sulfonyl-1,1-bis(oxidanylidene)thiolan-3-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3S,4R)-4-(2-methoxy-5-methyl-phenyl)sulfonyl-1,1-dioxo-thiolan-3-yl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3S,4R)-4-(2-methoxy-5-methylphenyl)sulfonyl-1,1-dioxo-3-thiolanyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3S,4R)-4-(2-methoxy-5-methylphenyl)sulfonyl-1,1-dioxothiolan-3-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3S,4R)-1,1-diketo-4-(2-methoxy-5-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=CC(=C(C=C1)OC)S(=O)(=O)C2CS(=O)(=O)CC2[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O6S2/c1-12-3-4-15(26-2)16(9-12)28(24,25)17-11-27(22,23)10-14(17)20-7-5-13(6-8-20)18(19)21/h3-4,9,13-14,17H,5-8,10-11H2,1-2H3,(H2,19,21)/p+1/t14-,17-/m0/s1