propan-2-yl 4-[(E)-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]ethenyl]piperidine-1-carboxylate

Systemtic Name: propan-2-yl 4-[(E)-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]ethenyl]piperidine-1-carboxylate Openeye Name: isopropyl 4-[(E)-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]vinyl]piperidine-1-carboxylate CAS Name: 4-[(E)-2-[2-(4-methylsulfonyl-1-piperazinyl)-5-pyrimidinyl]ethenyl]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(E)-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]ethenyl]piperidine-1-carboxylate Traditional Name: 4-[(E)-2-[2-(4-mesylpiperazino)pyrimidin-5-yl]vinyl]piperidine-1-carboxylic acid isopropyl ester Formula: C20H31N5O4S MolecularWeight: 437.55624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)C=CC2=CN=C(N=C2)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)/C=C/C2=CN=C(N=C2)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H31N5O4S/c1-16(2)29-20(26)24-8-6-17(7-9-24)4-5-18-14-21-19(22-15-18)23-10-12-25(13-11-23)30(3,27)28/h4-5,14-17H,6-13H2,1-3H3/b5-4+