[4-[[4-(4-ethenylphenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]-1-pyridin-4-yl-piperidin-4-yl] ethanoate

Systemtic Name: [4-[[4-(4-ethenylphenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]-1-pyridin-4-yl-piperidin-4-yl] ethanoate Openeye Name: [4-[[2-oxo-4-(4-vinylphenyl)sulfonyl-piperazin-1-yl]methyl]-1-(4-pyridyl)-4-piperidyl] acetate CAS Name: acetic acid [4-[[4-(4-ethenylphenyl)sulfonyl-2-oxo-1-piperazinyl]methyl]-1-pyridin-4-yl-4-piperidinyl] ester IUPAC Name: [4-[[4-(4-ethenylphenyl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidin-4-yl] acetate Traditional Name: acetic acid [4-[[2-keto-4-(4-vinylphenyl)sulfonyl-piperazino]methyl]-1-(4-pyridyl)-4-piperidyl] ester Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CCN(CC1)C2=CC=NC=C2)CN3CCN(CC3=O)S(=O)(=O)C4=CC=C(C=C4)C=C

Isomeric SMILES

CC(=O)OC1(CCN(CC1)C2=CC=NC=C2)CN3CCN(CC3=O)S(=O)(=O)C4=CC=C(C=C4)C=C

InChI

InChI=1S/C25H30N4O5S/c1-3-21-4-6-23(7-5-21)35(32,33)29-17-16-28(24(31)18-29)19-25(34-20(2)30)10-14-27(15-11-25)22-8-12-26-13-9-22/h3-9,12-13H,1,10-11,14-19H2,2H3