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

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[2-isopropoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-[5-(1-piperidinylsulfonyl)-2-propan-2-yloxyanilino]ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyanilino)ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(2-isopropoxy-5-piperidinosulfonyl-anilino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H37N4O6S+ MolecularWeight: 497.62808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC(C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC(C)C

InChI

InChI=1S/C23H36N4O6S/c1-4-32-23(29)26-14-12-25(13-15-26)17-22(28)24-20-16-19(8-9-21(20)33-18(2)3)34(30,31)27-10-6-5-7-11-27/h8-9,16,18H,4-7,10-15,17H2,1-3H3,(H,24,28)/p+1