(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl-(furan-2-ylmethyl)-(phenylmethyl)azanium

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl-(furan-2-ylmethyl)-(phenylmethyl)azanium Openeye Name: benzyl-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]-(2-furylmethyl)ammonium CAS Name: [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl-(2-furanylmethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]-(furan-2-ylmethyl)azanium Traditional Name: benzyl-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]-(2-furfuryl)ammonium Formula: C26H31N4O4S+ MolecularWeight: 495.61374

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+](CC4=CC=CC=C4)CC5=CC=CO5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+](CC4=CC=CC=C4)CC5=CC=CO5

InChI

InChI=1S/C26H30N4O4S/c1-2-30-25-11-10-23(35(31,32)29-12-15-33-16-13-29)17-24(25)27-26(30)20-28(19-22-9-6-14-34-22)18-21-7-4-3-5-8-21/h3-11,14,17H,2,12-13,15-16,18-20H2,1H3/p+1