1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-N-(4-pyrrolidinosulfonylphenyl)piperidin-1-ium-4-carboxamide Formula: C20H30N3O5S2+ MolecularWeight: 456.5993

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)C4CCS(=O)(=O)C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)[C@H]4CCS(=O)(=O)C4

InChI

InChI=1S/C20H29N3O5S2/c24-20(16-7-12-22(13-8-16)18-9-14-29(25,26)15-18)21-17-3-5-19(6-4-17)30(27,28)23-10-1-2-11-23/h3-6,16,18H,1-2,7-15H2,(H,21,24)/p+1/t18-/m0/s1