cyclopropyl-(furan-2-ylmethyl)-[2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclopropyl-(furan-2-ylmethyl)-[2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclopropyl-(2-furylmethyl)-[2-[2-methoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]ammonium CAS Name: cyclopropyl-(2-furanylmethyl)-[2-[2-methoxy-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]ammonium IUPAC Name: cyclopropyl-(furan-2-ylmethyl)-[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: cyclopropyl-(2-furfuryl)-[2-keto-2-(2-methoxy-5-piperidinosulfonyl-anilino)ethyl]ammonium Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+](CC3=CC=CO3)C4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+](CC3=CC=CO3)C4CC4

InChI

InChI=1S/C22H29N3O5S/c1-29-21-10-9-19(31(27,28)25-11-3-2-4-12-25)14-20(21)23-22(26)16-24(17-7-8-17)15-18-6-5-13-30-18/h5-6,9-10,13-14,17H,2-4,7-8,11-12,15-16H2,1H3,(H,23,26)/p+1