ethyl 2-[3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonylpyridin-2-yl]ethanoate

Systemtic Name: ethyl 2-[3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonylpyridin-2-yl]ethanoate Openeye Name: ethyl 2-[3-[4-(4-isopropylphenyl)sulfonylpiperazine-1-carbonyl]-2-pyridyl]acetate CAS Name: 2-[3-[oxo-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]-2-pyridinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]pyridin-2-yl]acetate Traditional Name: 2-[3-(4-p-cumenylsulfonylpiperazine-1-carbonyl)-2-pyridyl]acetic acid ethyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)CC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H29N3O5S/c1-4-31-22(27)16-21-20(6-5-11-24-21)23(28)25-12-14-26(15-13-25)32(29,30)19-9-7-18(8-10-19)17(2)3/h5-11,17H,4,12-16H2,1-3H3