4-methoxy-N-[[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]methyl]benzenesulfonamide

Systemtic Name: 4-methoxy-N-[[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]methyl]benzenesulfonamide Openeye Name: 4-methoxy-N-[[(3S)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]methyl]benzenesulfonamide CAS Name: 4-methoxy-N-[[(3S)-1-(4-thianyl)-3-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]methyl]benzenesulfonamide Traditional Name: 4-methoxy-N-[[(3S)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]methyl]benzenesulfonamide Formula: C18H29N2O3S2+ MolecularWeight: 385.56446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCC2CCC[NH+](C2)C3CCSCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC[C@H]2CCC[NH+](C2)C3CCSCC3

InChI

InChI=1S/C18H28N2O3S2/c1-23-17-4-6-18(7-5-17)25(21,22)19-13-15-3-2-10-20(14-15)16-8-11-24-12-9-16/h4-7,15-16,19H,2-3,8-14H2,1H3/p+1/t15-/m1/s1