(1-methylcyclopropyl) 4-[[5-[4-(3-pyrrolidin-1-ylpropylsulfonyl)piperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate

Systemtic Name: (1-methylcyclopropyl) 4-[[5-[4-(3-pyrrolidin-1-ylpropylsulfonyl)piperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: (1-methylcyclopropyl) 4-[[5-[4-(3-pyrrolidin-1-ylpropylsulfonyl)piperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[5-[4-[3-(1-pyrrolidinyl)propylsulfonyl]-1-piperazinyl]-2-pyrazinyl]oxymethyl]-1-piperidinecarboxylic acid (1-methylcyclopropyl) ester IUPAC Name: (1-methylcyclopropyl) 4-[[5-[4-(3-pyrrolidin-1-ylpropylsulfonyl)piperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[5-[4-(3-pyrrolidinopropylsulfonyl)piperazino]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid (1-methylcyclopropyl) ester Formula: C26H42N6O5S MolecularWeight: 550.71388

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)OC(=O)N2CCC(CC2)COC3=NC=C(N=C3)N4CCN(CC4)S(=O)(=O)CCCN5CCCC5

Isomeric SMILES

CC1(CC1)OC(=O)N2CCC(CC2)COC3=NC=C(N=C3)N4CCN(CC4)S(=O)(=O)CCCN5CCCC5

InChI

InChI=1S/C26H42N6O5S/c1-26(7-8-26)37-25(33)31-12-5-22(6-13-31)21-36-24-20-27-23(19-28-24)30-14-16-32(17-15-30)38(34,35)18-4-11-29-9-2-3-10-29/h19-20,22H,2-18,21H2,1H3