N-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propyl]-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: N-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propyl]-4-methylsulfanyl-benzenesulfonamide Openeye Name: N-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propyl]-4-methylsulfanyl-benzenesulfonamide CAS Name: N-[3-[(2S)-2-ethyl-1-piperidin-1-iumyl]propyl]-4-(methylthio)benzenesulfonamide IUPAC Name: N-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propyl]-4-methylsulfanylbenzenesulfonamide Traditional Name: N-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propyl]-4-(methylthio)benzenesulfonamide Formula: C17H29N2O2S2+ MolecularWeight: 357.55436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CCCNS(=O)(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CCCNS(=O)(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C17H28N2O2S2/c1-3-15-7-4-5-13-19(15)14-6-12-18-23(20,21)17-10-8-16(22-2)9-11-17/h8-11,15,18H,3-7,12-14H2,1-2H3/p+1/t15-/m0/s1