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

Systemtic Name: ethyl 4-[2-[(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[2-ethoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[2-ethoxy-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(2-ethoxy-5-piperidinosulfonyl-anilino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H35N4O6S+ MolecularWeight: 483.6015

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C22H34N4O6S/c1-3-31-20-9-8-18(33(29,30)26-10-6-5-7-11-26)16-19(20)23-21(27)17-24-12-14-25(15-13-24)22(28)32-4-2/h8-9,16H,3-7,10-15,17H2,1-2H3,(H,23,27)/p+1