2-(1-methylcyclopropyl)-4-[[5-[4-[3-(2-methyl-1,2-dihydroimidazol-3-yl)propylsulfonyl]piperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid

Systemtic Name: 2-(1-methylcyclopropyl)-4-[[5-[4-[3-(2-methyl-1,2-dihydroimidazol-3-yl)propylsulfonyl]piperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid Openeye Name: 2-(1-methylcyclopropyl)-4-[[5-[4-[3-(2-methyl-1,2-dihydroimidazol-3-yl)propylsulfonyl]piperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid CAS Name: 2-(1-methylcyclopropyl)-4-[[5-[4-[3-(2-methyl-1,2-dihydroimidazol-3-yl)propylsulfonyl]-1-piperazinyl]-2-pyrazinyl]oxymethyl]-1-piperidinecarboxylic acid IUPAC Name: 2-(1-methylcyclopropyl)-4-[[5-[4-[3-(2-methyl-1,2-dihydroimidazol-3-yl)propylsulfonyl]piperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid Traditional Name: 2-(1-methylcyclopropyl)-4-[[5-[4-[3-(2-methyl-4-imidazolin-1-yl)propylsulfonyl]piperazino]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid Formula: C26H41N7O5S MolecularWeight: 563.71264

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Descriptors Computed from Structure

Canonical SMILES:

CC1NC=CN1CCCS(=O)(=O)N2CCN(CC2)C3=CN=C(C=N3)OCC4CCN(C(C4)C5(CC5)C)C(=O)O

Isomeric SMILES

CC1NC=CN1CCCS(=O)(=O)N2CCN(CC2)C3=CN=C(C=N3)OCC4CCN(C(C4)C5(CC5)C)C(=O)O

InChI

InChI=1S/C26H41N7O5S/c1-20-27-7-10-30(20)8-3-15-39(36,37)32-13-11-31(12-14-32)23-17-29-24(18-28-23)38-19-21-4-9-33(25(34)35)22(16-21)26(2)5-6-26/h7,10,17-18,20-22,27H,3-6,8-9,11-16,19H2,1-2H3,(H,34,35)