2-(1-methylcyclopropyl)-4-[[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid

Systemtic Name: 2-(1-methylcyclopropyl)-4-[[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid Openeye Name: 2-(1-methylcyclopropyl)-4-[[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid CAS Name: 2-(1-methylcyclopropyl)-4-[[5-(4-methylsulfonyl-1-piperazinyl)-2-pyrazinyl]oxymethyl]-1-piperidinecarboxylic acid IUPAC Name: 2-(1-methylcyclopropyl)-4-[[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid Traditional Name: 4-[[5-(4-mesylpiperazino)pyrazin-2-yl]oxymethyl]-2-(1-methylcyclopropyl)piperidine-1-carboxylic acid Formula: C20H31N5O5S MolecularWeight: 453.55564

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)C2CC(CCN2C(=O)O)COC3=NC=C(N=C3)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1(CC1)C2CC(CCN2C(=O)O)COC3=NC=C(N=C3)N4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C20H31N5O5S/c1-20(4-5-20)16-11-15(3-6-25(16)19(26)27)14-30-18-13-21-17(12-22-18)23-7-9-24(10-8-23)31(2,28)29/h12-13,15-16H,3-11,14H2,1-2H3,(H,26,27)