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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+](CC2=CC=CC=C2)CC3=CC=CO3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+](CC2=CC=CC=C2)CC3=CC=CO3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C26H31N3O5S/c1-33-24-13-12-22(17-25(24)35(31,32)29-14-6-3-7-15-29)27-26(30)20-28(19-23-11-8-16-34-23)18-21-9-4-2-5-10-21/h2,4-5,8-13,16-17H,3,6-7,14-15,18-20H2,1H3,(H,27,30)/p+1