[2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: [2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [2-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl]-(2-furylmethyl)-methyl-ammonium CAS Name: [2-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl]-(2-furanylmethyl)-methylammonium IUPAC Name: [2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium Traditional Name: [2-(4-ethoxy-3-pyrrolidinosulfonyl-anilino)-2-keto-ethyl]-(2-furfuryl)-methyl-ammonium Formula: C20H28N3O5S+ MolecularWeight: 422.51842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CC=CO2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CC=CO2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H27N3O5S/c1-3-27-18-9-8-16(13-19(18)29(25,26)23-10-4-5-11-23)21-20(24)15-22(2)14-17-7-6-12-28-17/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H,21,24)/p+1