(1-methylcyclopropyl) 4-[[5-[4-(2-azanyl-2-oxidanylidene-ethyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate

Systemtic Name: (1-methylcyclopropyl) 4-[[5-[4-(2-azanyl-2-oxidanylidene-ethyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: (1-methylcyclopropyl) 4-[[5-[4-(2-amino-2-oxo-ethyl)sulfonyl-2-oxo-piperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[5-[4-(2-amino-2-oxoethyl)sulfonyl-2-oxo-1-piperazinyl]-2-pyrazinyl]oxymethyl]-1-piperidinecarboxylic acid (1-methylcyclopropyl) ester IUPAC Name: (1-methylcyclopropyl) 4-[[5-[4-(2-amino-2-oxoethyl)sulfonyl-2-oxopiperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[5-[4-(2-amino-2-keto-ethyl)sulfonyl-2-keto-piperazino]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid (1-methylcyclopropyl) ester Formula: C21H30N6O7S MolecularWeight: 510.5639

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N6O7S/c1-21(4-5-21)34-20(30)25-6-2-15(3-7-25)13-33-18-11-23-17(10-24-18)27-9-8-26(12-19(27)29)35(31,32)14-16(22)28/h10-11,15H,2-9,12-14H2,1H3,(H2,22,28)