[2-[(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-(2-methylphenoxy)ethyl]azanium

Systemtic Name: [2-[(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-(2-methylphenoxy)ethyl]azanium Openeye Name: [2-[2-ethoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]-methyl-[2-(2-methylphenoxy)ethyl]ammonium CAS Name: [2-[2-ethoxy-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-methyl-[2-(2-methylphenoxy)ethyl]ammonium IUPAC Name: [2-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-methyl-[2-(2-methylphenoxy)ethyl]azanium Traditional Name: [2-(2-ethoxy-5-piperidinosulfonyl-anilino)-2-keto-ethyl]-methyl-[2-(2-methylphenoxy)ethyl]ammonium Formula: C25H36N3O5S+ MolecularWeight: 490.63544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+](C)CCOC3=CC=CC=C3C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+](C)CCOC3=CC=CC=C3C

InChI

InChI=1S/C25H35N3O5S/c1-4-32-24-13-12-21(34(30,31)28-14-8-5-9-15-28)18-22(24)26-25(29)19-27(3)16-17-33-23-11-7-6-10-20(23)2/h6-7,10-13,18H,4-5,8-9,14-17,19H2,1-3H3,(H,26,29)/p+1