ethyl-[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: ethyl-[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]-(thiophen-2-ylmethyl)azanium Openeye Name: ethyl-[(1R)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]-(2-thienylmethyl)ammonium CAS Name: ethyl-[(2R)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: ethyl-[(2R)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]-(thiophen-2-ylmethyl)azanium Traditional Name: ethyl-[(1R)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl]-(2-thenyl)ammonium Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CS1)C(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC[NH+](CC1=CC=CS1)[C@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H27N3O3S2/c1-3-22(15-18-7-6-14-27-18)16(2)20(24)21-17-8-10-19(11-9-17)28(25,26)23-12-4-5-13-23/h6-11,14,16H,3-5,12-13,15H2,1-2H3,(H,21,24)/p+1/t16-/m1/s1