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

Systemtic Name: [2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-(phenylmethyl)azanium Openeye Name: benzyl-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl]-(2-furylmethyl)ammonium CAS Name: [2-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl]-(2-furanylmethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]-(furan-2-ylmethyl)azanium Traditional Name: benzyl-[2-(4-ethoxy-3-pyrrolidinosulfonyl-anilino)-2-keto-ethyl]-(2-furfuryl)ammonium Formula: C26H32N3O5S+ MolecularWeight: 498.61438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](CC2=CC=CC=C2)CC3=CC=CO3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](CC2=CC=CC=C2)CC3=CC=CO3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C26H31N3O5S/c1-2-33-24-13-12-22(17-25(24)35(31,32)29-14-6-7-15-29)27-26(30)20-28(19-23-11-8-16-34-23)18-21-9-4-3-5-10-21/h3-5,8-13,16-17H,2,6-7,14-15,18-20H2,1H3,(H,27,30)/p+1