methyl-[(5-methylfuran-2-yl)methyl]-[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium

Systemtic Name: methyl-[(5-methylfuran-2-yl)methyl]-[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium Openeye Name: methyl-[(5-methyl-2-furyl)methyl]-[(1R)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: methyl-[(5-methyl-2-furanyl)methyl]-[(2R)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl]ammonium IUPAC Name: methyl-[(5-methylfuran-2-yl)methyl]-[(2R)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]azanium Traditional Name: [(1R)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl]-methyl-[(5-methyl-2-furyl)methyl]ammonium Formula: C20H28N3O4S+ MolecularWeight: 406.51902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+](C)C(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(O1)C[NH+](C)[C@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H27N3O4S/c1-15-6-9-18(27-15)14-22(3)16(2)20(24)21-17-7-10-19(11-8-17)28(25,26)23-12-4-5-13-23/h6-11,16H,4-5,12-14H2,1-3H3,(H,21,24)/p+1/t16-/m1/s1