ethyl 4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidino]sulfonylbenzoic acid ethyl ester Formula: C26H33N3O6S MolecularWeight: 515.62172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C26H33N3O6S/c1-3-35-26(31)21-8-10-22(11-9-21)36(32,33)29-14-12-20(13-15-29)25(30)28-18-16-27(17-19-28)23-6-4-5-7-24(23)34-2/h4-11,20H,3,12-19H2,1-2H3