1-[2-oxidanylidene-2-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[2-isopropoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[5-(1-piperidinylsulfonyl)-2-propan-2-yloxyanilino]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyanilino)ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(2-isopropoxy-5-piperidinosulfonyl-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C22H35N4O5S+ MolecularWeight: 467.6021

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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+]3CCC(CC3)C(=O)N

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C22H34N4O5S/c1-16(2)31-20-7-6-18(32(29,30)26-10-4-3-5-11-26)14-19(20)24-21(27)15-25-12-8-17(9-13-25)22(23)28/h6-7,14,16-17H,3-5,8-13,15H2,1-2H3,(H2,23,28)(H,24,27)/p+1