ethyl 4-[4-[4-(1-pyridin-4-ylpiperidin-4-yl)carbonylpiperazin-1-yl]sulfonylphenyl]benzoate

Systemtic Name: ethyl 4-[4-[4-(1-pyridin-4-ylpiperidin-4-yl)carbonylpiperazin-1-yl]sulfonylphenyl]benzoate Openeye Name: ethyl 4-[4-[4-[1-(4-pyridyl)piperidine-4-carbonyl]piperazin-1-yl]sulfonylphenyl]benzoate CAS Name: 4-[4-[[4-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]-1-piperazinyl]sulfonyl]phenyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(1-pyridin-4-ylpiperidine-4-carbonyl)piperazin-1-yl]sulfonylphenyl]benzoate Traditional Name: 4-[4-[4-[1-(4-pyridyl)isonipecotoyl]piperazino]sulfonylphenyl]benzoic acid ethyl ester Formula: C30H34N4O5S MolecularWeight: 562.67976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4CCN(CC4)C5=CC=NC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4CCN(CC4)C5=CC=NC=C5

InChI

InChI=1S/C30H34N4O5S/c1-2-39-30(36)26-5-3-23(4-6-26)24-7-9-28(10-8-24)40(37,38)34-21-19-33(20-22-34)29(35)25-13-17-32(18-14-25)27-11-15-31-16-12-27/h3-12,15-16,25H,2,13-14,17-22H2,1H3