furan-2-ylmethyl-[(2S)-3-[(2-methoxyphenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]azanium

Systemtic Name: furan-2-ylmethyl-[(2S)-3-[(2-methoxyphenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-[N-(benzenesulfonyl)-2-methoxy-anilino]-2-hydroxy-propyl]-(2-furylmethyl)ammonium CAS Name: [(2S)-3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-(2-furanylmethyl)ammonium IUPAC Name: [(2S)-3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-(furan-2-ylmethyl)azanium Traditional Name: [(2S)-3-(N-besyl-2-methoxy-anilino)-2-hydroxy-propyl]-(2-furfuryl)ammonium Formula: C21H25N2O5S+ MolecularWeight: 417.4986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CC(C[NH2+]CC2=CC=CO2)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1N(C[C@H](C[NH2+]CC2=CC=CO2)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c1-27-21-12-6-5-11-20(21)23(29(25,26)19-9-3-2-4-10-19)16-17(24)14-22-15-18-8-7-13-28-18/h2-13,17,22,24H,14-16H2,1H3/p+1/t17-/m0/s1