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

Systemtic Name: (1-methylcyclopropyl) 4-[[5-[4-(3-azanylpropylsulfonyl)piperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: (1-methylcyclopropyl) 4-[[5-[4-(3-aminopropylsulfonyl)piperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[5-[4-(3-aminopropylsulfonyl)-1-piperazinyl]-2-pyrazinyl]oxymethyl]-1-piperidinecarboxylic acid (1-methylcyclopropyl) ester IUPAC Name: (1-methylcyclopropyl) 4-[[5-[4-(3-aminopropylsulfonyl)piperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[5-[4-(3-aminopropylsulfonyl)piperazino]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid (1-methylcyclopropyl) ester Formula: C22H36N6O5S MolecularWeight: 496.62344

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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)CCCN

Isomeric SMILES

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

InChI

InChI=1S/C22H36N6O5S/c1-22(5-6-22)33-21(29)27-8-3-18(4-9-27)17-32-20-16-24-19(15-25-20)26-10-12-28(13-11-26)34(30,31)14-2-7-23/h15-16,18H,2-14,17,23H2,1H3