1-[(3R,4R)-4-(4-ethylphenyl)sulfonyl-1,1-bis(oxidanylidene)thiolan-3-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3R,4R)-4-(4-ethylphenyl)sulfonyl-1,1-bis(oxidanylidene)thiolan-3-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3R,4R)-4-(4-ethylphenyl)sulfonyl-1,1-dioxo-thiolan-3-yl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3R,4R)-4-(4-ethylphenyl)sulfonyl-1,1-dioxo-3-thiolanyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3R,4R)-4-(4-ethylphenyl)sulfonyl-1,1-dioxothiolan-3-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3R,4R)-4-(4-ethylphenyl)sulfonyl-1,1-diketo-thiolan-3-yl]piperidin-1-ium-4-carboxamide Formula: C18H27N2O5S2+ MolecularWeight: 415.54738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)C2CS(=O)(=O)CC2[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C18H26N2O5S2/c1-2-13-3-5-15(6-4-13)27(24,25)17-12-26(22,23)11-16(17)20-9-7-14(8-10-20)18(19)21/h3-6,14,16-17H,2,7-12H2,1H3,(H2,19,21)/p+1/t16-,17+/m1/s1