(3-methoxyphenyl)methyl-methyl-[2-oxidanylidene-2-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]ethyl]azanium

Systemtic Name: (3-methoxyphenyl)methyl-methyl-[2-oxidanylidene-2-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]ethyl]azanium Openeye Name: [2-[2-isopropoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]-[(3-methoxyphenyl)methyl]-methyl-ammonium CAS Name: (3-methoxyphenyl)methyl-methyl-[2-oxo-2-[5-(1-piperidinylsulfonyl)-2-propan-2-yloxyanilino]ethyl]ammonium IUPAC Name: (3-methoxyphenyl)methyl-methyl-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyanilino)ethyl]azanium Traditional Name: [2-(2-isopropoxy-5-piperidinosulfonyl-anilino)-2-keto-ethyl]-m-anisyl-methyl-ammonium Formula: C25H36N3O5S+ MolecularWeight: 490.63544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+](C)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+](C)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C25H35N3O5S/c1-19(2)33-24-12-11-22(34(30,31)28-13-6-5-7-14-28)16-23(24)26-25(29)18-27(3)17-20-9-8-10-21(15-20)32-4/h8-12,15-16,19H,5-7,13-14,17-18H2,1-4H3,(H,26,29)/p+1