3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]propanamide

Systemtic Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]propanamide Openeye Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]propanamide CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]propanamide IUPAC Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]propanamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(p-phenetylsulfonylamino)propionamide Formula: C22H32N3O5S+ MolecularWeight: 450.57158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC[C@@H](C2=CC=CO2)[NH+]3CCCCC3

InChI

InChI=1S/C22H31N3O5S/c1-2-29-18-8-10-19(11-9-18)31(27,28)24-13-12-22(26)23-17-20(21-7-6-16-30-21)25-14-4-3-5-15-25/h6-11,16,20,24H,2-5,12-15,17H2,1H3,(H,23,26)/p+1/t20-/m0/s1