N-(4-methoxyphenyl)-N-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]benzenesulfonamide

Systemtic Name: N-(4-methoxyphenyl)-N-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]benzenesulfonamide Openeye Name: N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-N-(4-methoxyphenyl)benzenesulfonamide CAS Name: N-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide IUPAC Name: N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]-N-(4-methoxyphenyl)benzenesulfonamide Traditional Name: N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-N-(4-methoxyphenyl)benzenesulfonamide Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(C[NH+]2CCCCC2)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N(C[C@H](C[NH+]2CCCCC2)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H28N2O4S/c1-27-20-12-10-18(11-13-20)23(28(25,26)21-8-4-2-5-9-21)17-19(24)16-22-14-6-3-7-15-22/h2,4-5,8-13,19,24H,3,6-7,14-17H2,1H3/p+1/t19-/m0/s1