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

Systemtic Name: 4-methoxy-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methyl]benzenesulfonamide Openeye Name: 4-methoxy-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methyl]benzenesulfonamide CAS Name: 4-methoxy-N-[[(3S)-1-[3-(methylthio)propyl]-3-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methyl]benzenesulfonamide Traditional Name: 4-methoxy-N-[[(3S)-1-[3-(methylthio)propyl]piperidin-1-ium-3-yl]methyl]benzenesulfonamide Formula: C17H29N2O3S2+ MolecularWeight: 373.55376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O3S2/c1-22-16-6-8-17(9-7-16)24(20,21)18-13-15-5-3-10-19(14-15)11-4-12-23-2/h6-9,15,18H,3-5,10-14H2,1-2H3/p+1/t15-/m1/s1