furan-2-ylmethyl-methyl-[(2S)-1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: furan-2-ylmethyl-methyl-[(2S)-1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 2-furylmethyl-methyl-[(1S)-1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl]ammonium CAS Name: 2-furanylmethyl-methyl-[(2S)-1-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl]ammonium IUPAC Name: furan-2-ylmethyl-methyl-[(2S)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]azanium Traditional Name: 2-furfuryl-[(1S)-2-keto-1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl]-methyl-ammonium Formula: C20H28N3O5S+ MolecularWeight: 422.51842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)[NH+](C)CC2=CC=CO2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)[NH+](C)CC2=CC=CO2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H27N3O5S/c1-15-6-7-17(13-19(15)29(25,26)23-8-11-27-12-9-23)21-20(24)16(2)22(3)14-18-5-4-10-28-18/h4-7,10,13,16H,8-9,11-12,14H2,1-3H3,(H,21,24)/p+1/t16-/m0/s1