(1-methylcyclopropyl) 4-[[5-[4-(3-methoxy-3-oxidanylidene-propyl)sulfonylpiperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate

Systemtic Name: (1-methylcyclopropyl) 4-[[5-[4-(3-methoxy-3-oxidanylidene-propyl)sulfonylpiperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: (1-methylcyclopropyl) 4-[[5-[4-(3-methoxy-3-oxo-propyl)sulfonylpiperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[5-[4-(3-methoxy-3-oxopropyl)sulfonyl-1-piperazinyl]-2-pyrazinyl]oxymethyl]-1-piperidinecarboxylic acid (1-methylcyclopropyl) ester IUPAC Name: (1-methylcyclopropyl) 4-[[5-[4-(3-methoxy-3-oxopropyl)sulfonylpiperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[5-[4-(3-keto-3-methoxy-propyl)sulfonylpiperazino]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid (1-methylcyclopropyl) ester Formula: C23H35N5O7S MolecularWeight: 525.6183

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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)CCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H35N5O7S/c1-23(6-7-23)35-22(30)27-8-3-18(4-9-27)17-34-20-16-24-19(15-25-20)26-10-12-28(13-11-26)36(31,32)14-5-21(29)33-2/h15-16,18H,3-14,17H2,1-2H3